{"id":515,"date":"2017-02-02T16:05:11","date_gmt":"2017-02-02T16:05:11","guid":{"rendered":"http:\/\/emilio.oma3.es\/?page_id=515"},"modified":"2025-09-15T11:30:31","modified_gmt":"2025-09-15T11:30:31","slug":"publications","status":"publish","type":"page","link":"https:\/\/grupodeespectroscopia.es\/MW\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"\n\t<script type=\"text\/javascript\">\tjQuery(document).ready(function($){\tjQuery(\"ul.tabs-nav\").tabs(\"> .pane\"); }); <\/script>\n\n\t\t<div class=\"post-tabs\">\n\t\t\n<ul class=\"tabs-nav\">\n<li> ALL PUBLICATIONS <\/li>\n<li> FEATURED <\/li>\n<\/ul>\n\n\t\t<div class=\"pane\">\n\t\t\n<div class=\"year\">2018<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\" style=\"margin-bottom: 35px;\">\n<p class=\"num_publicaciones mas100\">107<\/p>\n<h4>Competing Dispersive Interactions: From Small Energy Differences to Large Structural Effects in Methyl Jasmonate and Zingerone<\/h4>\n<p class=\"autores\">Iciar Uriarte, Atef Jabri, Aran Insausti, Halima Mouhib, Ibon Alkorta, Isabelle Kleiner and Emilio J. Cocinero<\/p>\n<p class=\"medio\">The Journal of Physical Chemistry Letters | <strong>DOI<\/strong>:10.1021\/acs.jpclett.8b02339<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\" style=\"margin-bottom: 35px;\">\n<p class=\"num_publicaciones mas100\">106<\/p>\n<h4>Interactions between azines and alcohols: a rotational study of pyridine &#8211; tert-butyl alcohol<\/h4>\n<p class=\"autores\">Lorenzo Spada, Iciar Uriarte, Weixing Li, Luca Evangelisti, Emilio Jose Cocinero and Walther Caminati<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>:10.1039\/C8CP04462G<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\" style=\"margin-bottom: 35px;\">\n<p class=\"num_publicaciones mas100\">105<\/p>\n<h4>Phenyl-\u03b2-D-glucopyranoside and Phenyl-\u03b2-D-galactopyranoside Dimers: Small Structural Differences but Very Different Interactions<\/h4>\n<p class=\"autores\">Imanol Usabiaga, Ander Camiruaga, Aran Insausti, Pierre \u00c7ar\u00e7abal, Emilio J. Cocinero, Iker Le\u00f3n and Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Frontiers in Physics | <strong>DOI<\/strong>:10.3389\/fphy.2018.00003<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\" style=\"margin-bottom: 35px;\">\n<p class=\"num_publicaciones mas100\">104<\/p>\n<h4>Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition<\/h4>\n<p class=\"autores\">Iris A. Bermejo, Imanol Usabiaga, Ismael Compa\u00f1\u00f3n, Jorge Castro-L\u00f3pez, Aran Insausti, Jos\u00e9 A. Fern\u00e1ndez, Alberto Avenoza, Jes\u00fas H. Busto, Jes\u00fas Jim\u00e9nez-Barbero, Juan L. Asensio, Jes\u00fas M. Peregrina, Gonzalo Jim\u00e9nez-Os\u00e9s, Ram\u00f3n Hurtado-Guerrero, Emilio J. Cocinero and Francisco Corzana<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>:10.1021\/jacs.8b04801<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\" style=\"margin-bottom: 35px;\">\n<p class=\"num_publicaciones mas100\">103<\/p>\n<h4>Rotational spectroscopy update for the newly identified atmospheric ozone depleter CF3CCl3<\/h4>\n<p class=\"autores\">Zbigniew Kisiel, Lech Pszcz\u00f3lkowski, Ewa Bialkowska-Jaworska, Marek Jaworski, Iciar Uriarte, Francisco J. Basterretxea, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Journal of Molecular Spectroscopy | <strong>DOI<\/strong>:10.1016\/j.jms.2018.07.005<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\" style=\"margin-bottom: 35px;\">\n<p class=\"num_publicaciones mas100\">102<\/p>\n<h4>Shapes, Dynamics, and Stability of \u03b2-Ionone and its two mutants evidenced by High-Resolution Spectroscopy in the Gas Phase<\/h4>\n<p class=\"autores\">Iciar Uriarte, Sonia Melandri, Assimo Maris, Camilla Calabrese and Emilio J. Cocinero<\/p>\n<p class=\"medio\">The Journal of Physical Chemistry Letters | <strong>DOI<\/strong>: 10.1021\/acs.jpclett.8b00256<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones mas100\">101<\/p>\n<h4>Investigating the Conformation of the Bridged Monosaccharide Levoglucosan<\/h4>\n<p class=\"autores\">Iciar Uriarte, Patricia \u00c9cija, Rolando Lozada\u2010Garcia, Pierre \u00c7ar\u00e7abal, Emilio J. Cocinero<\/p>\n<p class=\"medio\">ChemPhysChem | <strong>DOI<\/strong>: 10.1002\/cphc.201701242<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2017<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones mas100\">100<\/p>\n<h4>Understanding the role of tyrosine in glycogenin<\/h4>\n<p class=\"autores\">Ander Camiruaga, Imanol Usabiaga, Aran Insausti, Emilio J. Cocinero, Iker Le\u00f3n, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Molecular BioSystems | <strong>DOI<\/strong>: 10.1039\/c7mb00293a2<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg\">\n<p class=\"num_publicaciones\">99<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto100.jpg\" alt=\"\" width=\"138\" height=\"\" \/><\/p>\n<h4>Structural Studies of Nicotinoids: Cotinine vs. Nicotine<\/h4>\n<p class=\"autores\">Iciar Uriarte, Cristobal P\u00e9rez, Elena Caballero-Mancebo, Francisco J. Basterretxea, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.20170002<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg \">\n<p class=\"num_publicaciones\">98<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto99.jpg\" alt=\"\" width=\"138\" height=\"\" \/><\/p>\n<h4>N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine<\/h4>\n<p class=\"autores\">Montserrat Vallejo-L\u00f3pez, Patricia Ecija, Natalja Vogt, Jean Demaison, Alberto Lesarri, Francisco J. Basterretxea, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal| <strong>DOI<\/strong>: 10.1002\/chem.201702232<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">97<\/p>\n<h4>High conductance values in \u03c0-folded molecular junctions<\/h4>\n<p class=\"autores\">Marco Carini, Marta P. Ruiz, Imanol Usabiaga, Jos\u00e9 A. Fern\u00e1ndez, Emilio J. Cocinero, Manuel Melle-Franco, Ismael Diez-Perez, Aurelio Mateo-Alonso<\/p>\n<p class=\"medio\">Nature Communications | <strong>DOI<\/strong>: 10.1038\/ncomms15195<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">96<\/p>\n<h4>Comprehensive rotational spectroscopy of the newly identified atmospheric ozone depleter CF3CH2Cl<\/h4>\n<p class=\"autores\">Iciar Uriarte, Zbigniew Kisielb, Ewa Bia\u0142kowska-Jaworskab, Lech Pszcz\u00f3\u0142kowskib, Patricia Ecija, Francisco J. Basterretxea, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Journal of Molecular Spectroscopy | <strong>DOI<\/strong>: 10.1016\/j.jms.2017.02.011<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">95<\/p>\n<h4>Influence of the Anomeric Conformation in the Intermolecular Interactions of Glucose<\/h4>\n<p class=\"autores\">Imanol Usabiaga, Jorge Gonz\u00e1lez, Iker Le\u00f3n, Pedro F. Arnaiz, Emilio J. Cocinero, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">The journal of physical chemistry letters | <strong>DOI<\/strong>: 10.1021\/acs.jpclett.7b00151<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2016<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg\">\n<p class=\"num_publicaciones\">94<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto94.jpg\" alt=\"\" width=\"138\" height=\"178\" \/><\/p>\n<h4>Effects of Chlorination on the Tautomeric Equilibrium of 2-Hydroxypyridine: Experiment and Theory<\/h4>\n<p class=\"autores\">Camilla Calabrese, Assimo Maris, Iciar Uriarte, Emilio J. Cocinero, Sonia Melandri<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201604891<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">93<\/p>\n<h4>Furanosic forms of sugars: conformational equilibrium of methyl beta-D-ribofuranoside<\/h4>\n<p class=\"autores\">Patricia \u00c9cija, Iciar Uriarte, Lorenzo Spada, Benjamin G. Davis, Walther Caminati, Francisco J. Basterretxea, Alberto Lesarri, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Chemical Communications | <strong>DOI<\/strong>: 10.1039\/c6cc01180b<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg\">\n<p class=\"num_publicaciones\">92<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto92.jpg\" alt=\"\" width=\"138\" height=\"178\" \/><\/p>\n<h4>Modeling the tyrosine-sugar interactions in supersonic expansions: glucopyranose-phenol clusters<\/h4>\n<p class=\"autores\">Imanol Usabiaga, Jorge Gonz\u00e1lez, Pedro F. Arn\u00e1iz, Iker Le\u00f3n, Emilio J. Cocinero, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c6cp00560h<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">91<\/p>\n<h4>Potential energy surface of fluoroxene: experiment and theory<\/h4>\n<p class=\"autores\">Iciar Uriarte, Patricia \u00c9cija, Lorenzo Spada, Eneko Zabalza, Alberto Lesarri, Francisco J. Basterretxea, Jos\u00e9 A. Fern\u00e1ndez, Walther Caminati and Emilio J. Cocinero<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c5cp06522d<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">90<\/p>\n<h4>Scopine Isolated in the Gas Phase<\/h4>\n<p class=\"autores\">Patricia \u00c9cija, Montserrat Vallejo-L\u00f3pez, Iciar Uriarte, Francisco J. Basterretxea, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Emilio Cocinero<\/p>\n<p class=\"medio\">ChemPhysChem | <strong>DOI<\/strong>: 10.1002\/cphc.201600368<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">89<\/p>\n<h4>Solving the Tautomeric Equilibrium of Purine through Analysis of the Complex Hyperfine Structure of the Four N-14 Nuclei<\/h4>\n<p class=\"autores\">Laura B. Favero\u2020, Iciar Uriarte, Lorenzo Spada, Patricia \u00c9cija, Camilla Calabrese, Walther Caminati, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Journal of Physical Chemistry Letters | <strong>DOI<\/strong>: 10.1021\/acs.jpclett.6b00374<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">88<\/p>\n<h4>The Conformational Map of Volatile Anesthetics: Enflurane Revisited.<\/h4>\n<p class=\"autores\">Crist\u00f3bal P\u00e9rez, Elena Caballero-Mancebo, Alberto Lesarri, Emilio J. Cocinero, Ibon Alkorta, Richard D. Suenram, Jens-Uwe Grabow, Brooks H. Pate<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201601201<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">87<\/p>\n<h4>The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations<\/h4>\n<p class=\"autores\">Natalja Vogt, Jean Demaison, Emilio J. Cocinero, Patricia \u00c9cija, Alberto Lesarri, Heinz Dieter Rudolph and J\u00fcrgen Vogt<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c6cp01842d<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">86<\/p>\n<h4>Unravelling Protein-DNA Interactions at Molecular Level: A DFT and NCI Study<\/h4>\n<p class=\"autores\">J. Gonz\u00e1lez, I. Ba\u00f1os, I. Le\u00f3n, J. Contreras-Garc\u00eda, E. J. Cocinero, A. Lesarri, J. A. Fern\u00e1ndez, and J. Mill\u00e1n<\/p>\n<p class=\"medio\">Journal of Chemical Theory and Computation | <strong>DOI<\/strong>: 10.1021\/acs.jctc.5b00330<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2015<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">85<\/p>\n<h4>Accurate Equilibrium Structures for Piperidine and Cyclohexane<\/h4>\n<p class=\"autores\">Jean Demaison, Norman C. Craig, Peter Groner, Patricia \u00c9cija, Emilio J. Cocinero, Alberto Lesarri, Heinz Dieter Rudolph<\/p>\n<p class=\"medio\">Journal of Physical Chemistry | <strong>DOI<\/strong>: 10.1021\/jp505765t<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">84<\/p>\n<h4>Carbohydrates<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Pierre \u00c7ar\u00e7abal<\/p>\n<p class=\"medio\">Gas-Phase Ir Spectroscopy and Structure of Biological Molecules | <strong>DOI<\/strong>: 10.1007\/128_2014_596<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg \">\n<p class=\"num_publicaciones\">83<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto83.jpg\" alt=\"\" width=\"138\" height=\"\" \/><\/p>\n<h4>Chiral recognition and atropisomerism in the sevoflurane dimer<\/h4>\n<p class=\"autores\">Nathan A. Seifert, Crist\u00f3bal P\u00e9rez, Justin L. Neill, Brooks H. Pate, Montserrat Vallejo-L\u00f3pez, Alberto Lesarri, Emilio J. Cocinero, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c5cp01025<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg\"><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/n82.jpg\" alt=\"\" width=\"138\" height=\"178\" \/><\/p>\n<p class=\"num_publicaciones\">82<\/p>\n<h4>Conformational steering in dicarboxy acids: The native structure of succinic acid<\/h4>\n<p class=\"autores\">Michaela K. Jahn, Estibaliz M\u00e9ndez, K. P. Rajappan Nair, Peter D. Godfrey, Don McNaughton, Patricia \u00c9cija, Francisco J. Basterretxea, Emilio J. Cocinero, Jens-Uwe Grabow<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c4cp05905k<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">81<\/p>\n<h4>Stability of conformationally locked free fructose: theoretical and computational insights<\/h4>\n<p class=\"autores\">Milind M. Deshmukh, Shridhar R. Gadre, Emilio J. Cocinero<\/p>\n<p class=\"medio\">New Journal of Chemistry | <strong>DOI<\/strong>: 10.1039\/c5nj02106e<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">80<\/p>\n<h4>Structural Distortion of the Epoxy Groups in Norbornanes: A Rotational Study of exo-2,3-Epoxynorbornane<\/h4>\n<p class=\"autores\">Patricia \u00c9cija, Iziar Uriarte, Francisco J. Basterretxea,Judith Mill\u00e1n, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Emilio J. Cocinero<\/p>\n<p class=\"medio\">ChemPhysChem | <strong>DOI<\/strong>: 10.1002\/cphc.201500334<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2014<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">79<\/p>\n<h4>Competition between weak hydrogen bonds: C-H\u22efCl is preferred to C-H\u22efF in CH2ClF-H2CO, as revealed by rotational spectroscopy<\/h4>\n<p class=\"autores\">Gang Feng, Qian Gou, Luca Evangelisti, Montserrat Vallejo-L\u00f3pez, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c4cp00919c<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">78<\/p>\n<h4>Conformational flexibility of mephenesin<\/h4>\n<p class=\"autores\">Patricia \u00c9cija, Luca Evangelisti, Montserrat Vallejo, Francisco J. Basterretxea, Alberto Lesarri, Fernando Casta\u00f1o, Walther Caminati, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Journal of Physical Chemistry B | <strong>DOI<\/strong>: 10.1021\/jp5014785<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">77<\/p>\n<h4>Halogen-Halogen links and internal dynamics in adducts of freons<\/h4>\n<p class=\"autores\">Qian Gou, Lorenzo Spada, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Journal of Physical Chemistry Letters | <strong>DOI<\/strong>: 10.1021\/jz500600w<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">76<\/p>\n<h4>How water interacts with halogenated anesthetics: The rotational spectrum of isoflurane-water<\/h4>\n<p class=\"autores\">Qian Gou, Gang Feng, Linda Evangelisti, Montserrat Vallejo-L\u00f3pez, Lorenzo Spada, Alberto Lesarri, Emilio J. Cocinero, Walther CaminatiW<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201303724<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg \">\n<p class=\"num_publicaciones\">75<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto75.jpg\" alt=\"\" width=\"138\" height=\"\" \/><\/p>\n<h4>Interactions between alkanes and aromatic molecules: a rotational study of pyridine-methane<\/h4>\n<p class=\"autores\">Qian Gou, Lorenzo Spada, Montserrat Vallejo-L\u00f3pez, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c4cp00204k<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">74<\/p>\n<h4>Interactions between freons and aromatic molecules: The rotational spectrum of pyridine-difluoromethane<\/h4>\n<p class=\"autores\">Montserrat Vallejo-L\u00f3pez, Lorenzo Spada, Qian Gou, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.cplett.2013.11.040<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">73<\/p>\n<h4>Internal dynamics in Halogen-Bonded adducts: A rotational study of chlorotrifluoromethane-formaldehyde<\/h4>\n<p class=\"autores\">Qian Gou, Gang Feng, Luca Evangelisti, Montserrat Vallejo-L\u00f3pez, Lorenzo Spada, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201406122<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">72<\/p>\n<h4>Mimicking anesthetic-receptor interactions in jets: the propofol-isopropanol cluster<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Imanol Usabiaga, Judith Mill\u00e1n, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c4cp01702a<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">71<\/p>\n<h4>Molecular hydration of propofol dimers in supersonic expansions: formation of active centre-like structures<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Judith Mill\u00e1n, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c4cp03101f<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">70<\/p>\n<h4>O-H\u22c5\u22c5\u22c5N and C-H\u22c5\u22c5\u22c5O Hydrogen Bonds Control Hydration of Pivotal Tropane Alkaloids: Tropinone\u22c5\u22c5\u22c5H<sub>2<\/sub>O Complex<\/h4>\n<p class=\"autores\">Patricia Ecija, Montserrat Vallejo-Lopez, Lica Evangelisti, Jos\u00e9 A. Fernandez, Alberto Lesarri, Walter Caminati, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Chemphyschem | <strong>DOI<\/strong>: 10.1002\/cphc.20130121<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">69<\/p>\n<h4>Probing the C-H Weak Hydrogen Bond in Anesthetic Binding: The Sevoflurane-Benzene Cluster<\/h4>\n<p class=\"autores\">Nathan A. Seifert, Daniel P. Zaleski, Crist\u00f3bal P\u00e9rez, Justin L. Neill, Brooks H. Pate, Montserrat Vallejo-Lopez, Alberto Lesarri, Emilio J. Cocinero, Fernando Castano, Isabel Kleiner<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.201309848<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">68<\/p>\n<h4>Pseudorotational Landscape of Seven-Membered Rings: The Most Stable Chair and Twist-Boat Conformers of epsilon-Caprolactone<\/h4>\n<p class=\"autores\">Michaela K. Jahn, David A. Dewald, Montserrat Vallejo-Lopez, Emilio J. Cocinero, Alberto Lesarri, Wenli Zou, Dieter Cremer, Jens-Uwe Grabow<\/p>\n<p class=\"medio\">Chemistry-a European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201403379<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">67<\/p>\n<h4>Static and Dynamic Properties of 1,1 &#8216;-Bi-2-naphthol and Its Conjugated Acids and Bases<\/h4>\n<p class=\"autores\">Ibon Alkorta, C\u00e9line Cancedda, Emilio J. Cocinero, Juan Z. D\u00e1valos, Patrica Ecija, Jos\u00e9 Elguero, Javier Gonzalez, Alberto Lesarri, Rocio Ramos, Felipe Reviriego, Christian Roussel, Iciar Uriarte, Nicolas Vanthuyne<\/p>\n<p class=\"medio\">Chemistry-a European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201402686<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">66<\/p>\n<h4>Water Encapsulation by Nanomicelles<\/h4>\n<p class=\"autores\">Iker Leon, Judith Millan, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fernandez<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.201405652<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">65<\/p>\n<h4>Weak C\u2013H\u22efN and C\u2013H\u22efF hydrogen bonds and internal rotation in pyridine\u2013CH<sub>3<\/sub>F<\/h4>\n<p class=\"autores\">Lorenzo Spada, Qian Gou, Montserrat Vallejo-L\u00f3pez, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c3cp54430c<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2013<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">64<\/p>\n<h4>&#8216;Naked&#8217; and hydrated conformers of the conserved core pentasaccharide of N-linked glycoproteins and its building blocks<\/h4>\n<p class=\"autores\">Conor S. Barry, Emilio J. Cocinero, Pierre \u00c7ar\u00e7abal, David P. Gamblin, E. Cristina Stanca-Kaposta, Sarah M. Remmert, Mar\u00eda C. Fern\u00e1ndez-Alonso, Svemir Rudi\u0107, John P. Simons, Benjamin G. Davis<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja405667<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">63<\/p>\n<h4>Accurate semiexperimental structure of 1,3,4-oxadiazole by the mixed estimation method<\/h4>\n<p class=\"autores\">Jean Demaison, Michaela K. Jahn, Emilio J. Cocinero, Alberto Lesarri, Jens-Uwe Grabow, Jean-Claude Guillemin, Heinz Dieter Rudolph<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp400505v<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">62<\/p>\n<h4>Binding energies of micro-hydrated carbohydrates: Measurements and interpretation<\/h4>\n<p class=\"autores\">Pierre \u00c7ar\u00e7abal, Emilio J. Cocinero and John P. Simons<\/p>\n<p class=\"medio\">Chemical Science | <strong>DOI<\/strong>: 10.1039\/c3sc50135c<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">61<\/p>\n<h4>Carbohydrate-aromatic interactions: Vibrational spectroscopy and structural assignment of isolated monosaccharide complexes with p-hydroxy toluene and N-acetyl L-tyrosine methylamide<\/h4>\n<p class=\"autores\">E. Cristina Stanca-Kaposta, Pierre \u00c7ar\u00e7abal, Emilio J. Cocinero, Paola Hurtado, John P. Simons<\/p>\n<p class=\"medio\">Journal of Physical Chemistry B | <strong>DOI<\/strong>: 10.1021\/jp404527s<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">60<\/p>\n<h4>Formation of water polyhedrons in propofol-water clusters<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Emilio J. Cocinero, Anouk M. Rijs, Judith Mill\u00e1n, Eduardo Alonso, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c2cp42304a<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">59<\/p>\n<h4>Free fructose is conformationally locked<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Patricia \u00c9cija, \u00c1lvaro Cimas, Benjamin G. Davis, Francisco J. Basterretxea, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja312393m<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">58<\/p>\n<h4>Magic numbers in the solvation of the propofol dimer<\/h4>\n<p class=\"autores\">Iker Leon, Judith Millan, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fernandez<\/p>\n<p class=\"medio\">ChemPhysChem | <strong>DOI<\/strong>: 10.1002\/cphc.201300205<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">57<\/p>\n<h4>Non-bonding interactions and internal dynamics in CH<sub>2<\/sub>F <sub>2<\/sub>\u22efH<sub>2<\/sub>CO: A rotational and model calculations study<\/h4>\n<p class=\"autores\">Qian Gou, Gang Feng, Luca Evangelisti, Montserrat Vallejo-L\u00f3pez, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c3cp50306b<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">56<\/p>\n<h4>Rotational spectra of bicyclic decanes: The trans conformation of (-)-lupinine<\/h4>\n<p class=\"autores\">Michaela K. Jahn, David Dewald, Montserrat Vallejo-L\u00f3pez, Emilio J. Cocinero, Alberto Lesarri, Jens-Uwe Grabow<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp407671m<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">55<\/p>\n<h4>Rotational spectroscopy of antipyretics: Conformation, structure, and internal dynamics of phenazone<\/h4>\n<p class=\"autores\">Patricia Ecija, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Walther Caminati, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Journal of Chemical Physics | <strong>DOI<\/strong>: 10.1063\/1.4794693<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg \">\n<p class=\"num_publicaciones\">54<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto54.jpg\" alt=\"\" width=\"138\" height=\"\" \/><\/p>\n<h4>Shaping Micelles: The Interplay Between Hydrogen Bonds and Dispersive Interactions<\/h4>\n<p class=\"autores\">Iker Leon, Judith Millan, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fernandez<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.201303245<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">53<\/p>\n<h4>Six Pyranoside Forms of Free 2-Deoxy-D-ribose<\/h4>\n<p class=\"autores\">I. Haykal, L. Margul\u00e8s, T. R. Huet, R. A. Motyienko, P. \u00c9cija, E. J. Cocinero, F. Basterretxea, J. A. Fern\u00e1ndez, F. Casta\u00f1o, A. Lesarri<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1088\/0004-637X\/777\/2\/120<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">52<\/p>\n<h4>The CM-, MM-, and sub-MM-wave spectrum of allyl isocyanide and radioastronomical observations in orion kl and the sgrb2 line surveys<\/h4>\n<p class=\"autores\">I. Haykal, L. Margul\u00e8s, T. R. Huet, R. A. Motyienko, Patricia Ecija, Emilio J. Cocinero, Francisco Basterretxea, Jos\u00e9 A. Fern\u00e1ndez, Fernando Castano<\/p>\n<p class=\"medio\">Astrophysical Journal | <strong>DOI<\/strong>: 10.1088\/0004-637X\/777\/2\/120<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">51<\/p>\n<h4>The Distorted Tropane of Scopoline<\/h4>\n<p class=\"autores\">Patricia Ecija, Emilio J. Cocinero, Alberto Lesarri, Francisco Basterretxea, Jos\u00e9 A. Fern\u00e1ndez, Fernando Castano<\/p>\n<p class=\"medio\">Chemphyschem | <strong>DOI<\/strong>: 10.1002\/cphc.20130019<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">50<\/p>\n<h4>Propofol<sub>2<\/sub>-(H<sub>2<\/sub>O)<sub>(2-4)<\/sub><\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Judith Mill\u00e1n, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Journal of Physical Chemistry a | <strong>DOI<\/strong>: 10.1021\/jp401386y<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">49<\/p>\n<h4>Unraveling the Benzocaine-Receptor Interaction at Molecular Level Using Mass-Resolved Spectroscopy<\/h4>\n<p class=\"autores\">Edurne Aguado, Iker Le\u00f3n, Judith Mill\u00e1n, Emilio J. Cocinero, Sander Jaeqx, Anouk M. Rijs, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Journal of Physical Chemistry B | <strong>DOI<\/strong>: 10.1021\/jp4068944<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2012<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">48<\/p>\n<h4>A combined spectroscopic and theoretical study of propofol\u00b7(H<sub>2<\/sub>O)<sub>3<\/sub><\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Emilio J. Cocinero, Judith Mill\u00e1n, Anouk M. Rijs, Imanol Usabiaga, Alberto Lesarri, Fernando Casta\u00f1o, and Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Journal of Chemical Physics | <strong>DOI<\/strong>: 10.1063\/1.4743960<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">47<\/p>\n<h4>A combined spectroscopic and theoretical study of propofol\u00b7(H<sub>2<\/sub>O)3.<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Emilio J. Cocinero, Judith Mill\u00e1n, Anouk M. Rijs, Imanol Usabiaga, Alberto Lesarri, Fernando Casta\u00f1o, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">The Journal of chemical physics | <strong>DOI<\/strong>:<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">46<\/p>\n<h4>A Spectroscopic Approach to the Solvation of Anesthetics in Jets: Propofol(H<sub>2<\/sub>O)(n), n=4-6<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Emilio J. Cocinero, Alberto Lesarri, Fernando Casta\u00f1o, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Journal of Physical Chemistry a | <strong>DOI<\/strong>: 10.1021\/jp0305795u<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">45<\/p>\n<h4>A spectroscopic approach to the solvation of anesthetics in jets: Propofol(H<sub>2<\/sub>O)<sub><i>n<\/i><\/sub>, <i>n<\/i> = 4\u20136<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Emilio J. Cocinero, Alberto Lesarri, Fernando Casta\u00f1o, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp305795<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">44<\/p>\n<h4>Exploring microsolvation of the anesthetic propofoL<\/h4>\n<p class=\"autores\">Iker Leon, Emilio J. Cocinero, Judith Mill\u00e1n, Sander Jaeqx, Anouk M. Rijs, Alberto Lesarri, Fernando Casta\u00f1oa, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c2cp23583h<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">43<\/p>\n<h4>Mimicking anaesthetic-receptor interaction: a combined spectroscopic and computational study of propofol center dot center dot center dot phenol<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Judith Mill\u00e1n, Emilio J. Cocinero, Alberto Lesarri, Fernando Casta\u00f1o, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c2cp40656j<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">42<\/p>\n<h4>Proton Tunneling in Heterodimers of Carboxylic Acids: A Rotational Study of the Benzoic Acid-Formic Acid Bimolecule<\/h4>\n<p class=\"autores\">Luca Evangelisti, Patricia \u00c9cija, Emilio J. Cocinero, Fernando Casta\u00f1o, Alberto Lesarri, Walther Caminati, Rolf Meyer<\/p>\n<p class=\"medio\">Journal of Physical Chemistry Letters | <strong>DOI<\/strong>: 10.1021\/jz3018489<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg \">\n<p class=\"num_publicaciones\">41<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto41.jpg\" alt=\"\" width=\"138\" height=\"\" \/><\/p>\n<h4>Ribose Found in the Gas Phase<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Patricia \u00c9cija, Francisco Basterretxea, Jens-Uwe Grabow, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.201107973<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">40<\/p>\n<h4>Ribose isolated in gas<\/h4>\n<p class=\"autores\">Emilio J. Cocinero<\/p>\n<p class=\"medio\">Trac-Trends in Analytical Chemistry | <strong>DOI<\/strong>:<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">39<\/p>\n<h4>Semiexperimental Equilibrium Structures for the Equatorial Conformers of N-Methylpiperidone and Tropinone by the Mixed Estimation Method<\/h4>\n<p class=\"autores\">Jean Demaison, Norman C. Craig, Emilio J. Cocinero, Jens-Uwe Grabow, Alberto Lesarri, Heinz Dieter Rudolph<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp304178n<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">38<\/p>\n<h4>Single Hydration of the Peptide Bond: The Case of the Vince Lactam<\/h4>\n<p class=\"autores\">Patricia \u00c9cija, Francisco J. Basterretxea, Alberto Lesarri, Judith Mill\u00e1n, Fernando Casta\u00f1o, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A| <strong>DOI<\/strong>: 10.1021\/jp3072734<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2011<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">37<\/p>\n<h4>Carbohydrate hydration: heavy water complexes of alpha and beta anomers of glucose, galactose, fucose and xylose<\/h4>\n<p class=\"autores\">Nitzan Mayorkas, Svemir Rudi\u0107, Emilio J. Cocinero, Benjamin G. Davis, John P. Simons<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c1cp22348h<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">36<\/p>\n<h4>Competing hydrogen bonding in methoxyphenols: The rotational spectrum of o-vanillin<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Patricia \u00c9cija, Francisco Basterretxea, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Journal of Molecular Spectroscopy | <strong>DOI<\/strong>: 10.1016\/j.jms.2011.02.009<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">35<\/p>\n<h4>Computaional studies of saccharide hydration: Spectroscopy, structure and dynamics<\/h4>\n<p class=\"autores\">PMadeleine Pincu, HB Xie, J Lin, Brina Brauer, John P. Simons; I Bar, Emilio J. Cocinero, Nitzan Mayorkas, Buch, V, R. Benny Gerber<\/p>\n<p class=\"medio\">Abstracts of Papers of the American Chemical Society<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">34<\/p>\n<h4>Conformational behaviour, hydrogen bond competition and intramolecular dynamics in vanillin derivatives: acetovanillone and 6-hydroxy-3-methoxyacetophenone<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Francisco J. Basterretxea, Patricia \u00c9cija, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c0cp02418j<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">33<\/p>\n<h4>Discriminating the structure of exo-2-aminonorbornane using nuclear quadrupole coupling interactions<\/h4>\n<p class=\"autores\">Patricia \u00c9cija, Emilio J. Cocinero, Alberto Lesarri, Judith Mill\u00e1n, Francisco Basterretxea, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Journal of Chemical Physics | <strong>DOI<\/strong>: 10.1063\/1.3583494<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">32<\/p>\n<h4>Exploring Carbohydrate-Peptide Interactions in the Gas Phase: Structure and Selectivity in Complexes of Pyranosides with N-Acetylphenylalanine Methylamide<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Pierre \u00c7ar\u00e7abal, Timothy D. Vaden, Benjamin G. Davis John P. Simons<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja109664k<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">31<\/p>\n<h4>Gas phase spectroscopy of hydrated carbohydrates: The anomeric effect laid bare<\/h4>\n<p class=\"autores\">John P. Simons, Mayorkas, N; Emilio J. Cocinero, Rudic, S; Gerber, RB; Benjamin G. Davis<\/p>\n<p class=\"medio\">Abstracts of Papers of the American Chemical Society<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">30<\/p>\n<h4>Isotopic Hydration of Cellobiose: Vibrational Spectroscopy and Dynamical Simulations<\/h4>\n<p class=\"autores\">Madeleine Pincu, Emilio J. Cocinero, Nitzan Mayorkas, Brina Brauer, Benjamin G. Davis, R. Benny Gerber, John P. Simons<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp112109p<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">29<\/p>\n<h4>N-Methyl Inversion and Structure of Six-Membered Heterocyclic Rings: Rotational Spectrum of 1-Methyl-4-piperidone<\/h4>\n<p class=\"autores\">Luca Evangelisti, Alberto Lesarri, Michaela K. Jahn, Emilio J. Cocinero, Walther Caminati, Jens-Uwe Grabow<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp112425w<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">28<\/p>\n<h4>Sensing the anomeric effect in a solvent-free environment<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Pierre \u00c7ar\u00e7abal, Timothy D. Vaden,John P. Simons &amp; Benjamin G. Davis<\/p>\n<p class=\"medio\">Nature | <strong>DOI<\/strong>: 10.1038\/nature09693<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">27<\/p>\n<h4>The Halogen Bond and Internal Dynamics in the Molecular Complex of CF3Cl and H<sub>2<\/sub>O<\/h4>\n<p class=\"autores\">Luca Evangelisti, Gang Feng, Patricia \u00c9cija, Emilio J. Cocinero, Fernando Casta\u00f1o, Walther Caminati<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.201102544<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2010<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">26<\/p>\n<h4>Conformational equilibria in vanillin and ethylvanillin<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarr, Patricia \u00c9cija, Jens-Uwe Grabow, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1.<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c0cp00585a<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">25<\/p>\n<h4>N-Methyl stereochemistry in tropinone: the conformational flexibility of the tropane motif<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Patricia \u00c9cija, Jens-Uwe Grabow, Jos\u00e9 A. Fern\u00e1ndez and Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c000528b<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">24<\/p>\n<h4>The Conformational Landscape of Nicotinoids: Solving the Conformational Disparity of Anabasine<\/h4>\n<p class=\"autores\">Alberto Lesarri, Emilio J. Cocinero, Luca Evangelisti, Richard D. Suenram, Walther Caminati, Jens-Uwe Grabow<\/p>\n<p class=\"medio\">Chemistry-a European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201000849<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2009<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">23<\/p>\n<h4>Carbohydrate-aromatic interactions: A computational and IR spectroscopic investigation of the complex, methyl \u03b1-l-fucopyranoside \u00b7 toluene, isolated in the gas phase<\/h4>\n<p class=\"autores\">Zheng Su, Emilio J. Cocinero, E. Cristina Stanca-Kaposta, Benjamin G. Davis, John P. Simons<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.cplett.2009.02.043<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">22<\/p>\n<h4>Conformational change and selectivity in explicitly hydrated carbohydrates<\/h4>\n<p class=\"autores\">John P. Simons, Benjamin G. Davis, Emilio J. Cocinero, David P. Gamblin, E.Cristina Stanca-Kaposta<\/p>\n<p class=\"medio\">Tetrahedron Asymmetry | <strong>DOI<\/strong>: 10.1016\/j.tetasy.2009.02.032<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">21<\/p>\n<h4>Hydration of Sugars in the gas phase: Regioselectivity and conformational choice in N-acetyl glucosamine and glucose<\/h4>\n<p class=\"autores\">Emilio J. Cocinero Dr, E. Cristina Stanca-Kaposta, Mark Dethlefsen, Bo Liu Dr, David P. Gamblin, Benjamin G. Davis, John P. Simons<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.200901830<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">20<\/p>\n<h4>Molecular recognition in the gas phase: benzocaine-phenol as a model of anaesthetic-receptor interaction<\/h4>\n<p class=\"autores\">Edurne Aguado, Iker Le\u00f3n, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez and Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/b915325j<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">19<\/p>\n<h4>Peptide secondary structures in the gas phase: consensus motif of N-linked glycoproteins<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, E. Cristina Stanca-Kaposta, David P. Gamblin, Benjamin G. Davis and John P. Simons<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja808687j<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">18<\/p>\n<h4>The building blocks of cellulose: the intrinsic conformational structures of cellobiose, its epimer, lactose and their singly hydrated complexes<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, David P. Gamblin, Benjamin G. Davis, John P. Simons<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja903322w<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">17<\/p>\n<h4>The intrinsic conformation of a Lewis antigen: the Lewis \u00d7 trisaccharide<\/h4>\n<p class=\"autores\">Zheng Su, Beatrice Wagner, Emilio J. Cocinero, Beat Ernst, John P. Simons<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.cplett.2009.07.006<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2008<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">16<\/p>\n<h4>Conformational choice and selectivity in singly and multiply hydrated monosaccharides in the gas phase<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, E. Cristina Stanca-Kaposta1, Eoin M. Scanlan, David P. Gamblin, Benjamin G. Davis, John P. Simons<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.200800474<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">15<\/p>\n<h4>Probing the glycosidic linkage: secondary structures in the gas phase<\/h4>\n<p class=\"autores\">John P Simons, E. Cristina Stanca-Kaposta1, Emilio J. Cocinero, B Liu1, Benjamin G Davis, David P Gamblin and Romano T Kroemer<\/p>\n<p class=\"medio\">Physica Scripta | <strong>DOI<\/strong>: 10.1088\/0031-8949\/78\/05\/058124<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">14<\/p>\n<h4>Solvent interactions and conformational choice in a core N-glycan segment: Gas phase conformation of the central, branching trimannose unit and its singly hydrated complex<\/h4>\n<p class=\"autores\">E. Cristina Stanca-Kaposta, David P. Gamblin, Emilio J. Cocinero, Jann Frey, Romano T. Kroemer, Antony J. Fairbanks, Benjamin G. Davis and John P. Simons<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja801892h<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2007<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">13<\/p>\n<h4>The shape of leucine in the gas phase<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Jens-Uwe Grabow, Juan C. L\u00f3pez, Jos\u00e9 L. AlonsoL<\/p>\n<p class=\"medio\">ChemPhysChem | <strong>DOI<\/strong>: 10.1002\/cphc.200600730<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2006<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">12<\/p>\n<h4>The shape of neutral sarcosine in gas phase<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Pablo Villanueva, Alberto Lesarri, Maria Eugenia Sanz, Susana Blanco, Santiago Mata, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.cplett.2006.12.067<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">11<\/p>\n<h4>Conformations of \u03b1-aminobutyric acid in the gas phase<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Maria Eugenia Sanz, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">ChemPhysChem | <strong>DOI<\/strong>: 10.1002\/cphc.200600091<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg\">\n<p class=\"num_publicaciones\">10<\/p>\n<h4>The glycine-water complex<\/h4>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto10.jpg\" alt=\"\" width=\"138\" height=\"178\" \/><\/p>\n<p class=\"autores\">Jos\u00e9 L. Alonso, Emilio J. Cocinero, Alberto Lesarri, Maria Eugenia Sanz, Juan C. L\u00f3pez<\/p>\n<p class=\"medio\">Angewandte Chemie &#8211; International Edition | <strong>DOI<\/strong>: 10.1002\/anie.200600342x<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">9<\/p>\n<h4>The pure rotational spectrum of TeSe: Rotational parameters, Born-Oppenheimer breakdown corrections, and hyperfine constants<\/h4>\n<p class=\"autores\">&gt;Deike Banser, Jens-Uwe Grabow, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Journal of Molecular Structure | <strong>DOI<\/strong>: 10.1016\/j.molstruc.2006.02.041<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2005<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">8<\/p>\n<h4>Coded amino acids in gas phase: The shape of isoleucine<\/h4>\n<p class=\"autores\">Alberto Lesarri, Raquel Sanchez, Emilio J. Cocinero, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja0528073<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">7<\/p>\n<h4>Gas-phase structure of N,N-dimethylglycine<\/h4>\n<p class=\"autores\">Alberto Lesarri, R Sanchez, Emilio J. Cocinero, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Chemphyschem | <strong>DOI<\/strong>: 10.1002\/cphc.200500103<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">6<\/p>\n<h4>Shape of 4(S)- and 4(R)-hydroxyproline in gas phase<\/h4>\n<p class=\"autores\">Alberto Lesarri, Raquel Sanchez, Emilio J. Cocinero, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: https:\/\/doi.org\/10.1021\/ja045955m<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">5<\/p>\n<h4>The internuclear potential, electronic structure, and chemical bond of tellurium selenide<\/h4>\n<p class=\"autores\">Deike Banser, Melanie Schnell, Jens-Uwe Grabow, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1002\/anie.2005016583<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">4<\/p>\n<h4>Weak hydrogen bonds C-H center dot center dot center dot S and C-H center dot center dot center dot F-C in the thiirane-trifluoromethane dimer<\/h4>\n<p class=\"autores\">Emilio J. Cocinero Sanchez, Raquel S\u00e1nchez, Susana Blanco, Alberto Lesarri, Juan C. L\u00f3pez , Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.ciplett.2004.11.073<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">3<\/p>\n<h4>Weak hydrogen bonds C-H\u22efS and C-H\u22efF-C in the thiirane-trifluoromethane dimer<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Raquel S\u00e1nchez, Susana Blanco, Alberto Lesarri, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.cplett.2004.11.073<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2004<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">2<\/p>\n<h4>The shape of neutral valine<\/h4>\n<p class=\"autores\">Alberto Lesarri, Emilio J. Cocinero, Juan C. L\u00f3pez , Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.200352543<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"year\">2002<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">1<\/p>\n<h4>The structure of neutral proline<\/h4>\n<p class=\"autores\">Alberto Lesarri, Santiago Mata, Emilio J. Cocinero Blanco, Susana Blanco, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1039\/c6cp00560h7.02.011<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n\n\t\t<\/div>\n\t\n\n\t\t<div class=\"pane\">\n\t\t\n<div class=\"publi_emilio\">\n<h4>Sensing the anomeric effect in a solvent-free environment<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Pierre \u00c7ar\u00e7abal, Timothy D. Vaden,John P. Simons &amp; Benjamin G. Davis<\/p>\n<p class=\"medio\">Nature | <strong>DOI<\/strong>: 10.1038\/nature09693<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg \">\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas tie-appear\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto41.jpg\" alt=\"\" width=\"138\" height=\"\" \/><\/p>\n<h4>Ribose Found in the Gas Phase<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Patricia \u00c9cija, Francisco Basterretxea, Jens-Uwe Grabow, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.201107973<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<h4>High conductance values in \u03c0-folded molecular junctions<\/h4>\n<p class=\"autores\">Marco Carini, Marta P. Ruiz, Imanol Usabiaga, Jos\u00e9 A. Fern\u00e1ndez, Emilio J. Cocinero, Manuel Melle-Franco, Ismael Diez-Perez, Aurelio Mateo-Alonso<\/p>\n<p class=\"medio\">Nature Communications | <strong>DOI<\/strong>: 10.1038\/ncomms15195<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<h4>&#8216;Naked&#8217; and hydrated conformers of the conserved core pentasaccharide of N-linked glycoproteins and its building blocks<\/h4>\n<p class=\"autores\">Conor S. Barry, Emilio J. Cocinero, Pierre \u00c7ar\u00e7abal, David P. Gamblin, E. Cristina Stanca-Kaposta, Sarah M. Remmert, Mar\u00eda C. Fern\u00e1ndez-Alonso, Svemir Rudi\u0107, John P. Simons, Benjamin G. Davis<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja405667<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<h4>Solving the Tautomeric Equilibrium of Purine through Analysis of the Complex Hyperfine Structure of the Four N-14 Nuclei<\/h4>\n<p class=\"autores\">Laura B. Favero\u2020, Iciar Uriarte, Lorenzo Spada, Patricia \u00c9cija, Camilla Calabrese, Walther Caminati, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Journal of Physical Chemistry Letters | <strong>DOI<\/strong>: 10.1021\/acs.jpclett.6b00374<\/p>\n<\/div>\n\n\t\t<\/div>\n\t\n\n\t\t<div class=\"pane\">\n\t\t\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones mas100\">102<\/p>\n<h4>Shapes, Dynamics, and Stability of \u03b2-Ionone and its two mutants evidenced by High-Resolution Spectroscopy in the Gas Phase<\/h4>\n<p class=\"autores\">Iciar Uriarte, Sonia Melandri, Assimo Maris, Camilla Calabrese and Emilio J. Cocinero<\/p>\n<p class=\"medio\">The Journal of Physical Chemistry Letters | <strong>DOI<\/strong>: 10.1021\/acs.jpclett.8b00256<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones mas100\">101<\/p>\n<h4>Investigating the Conformation of the Bridged Monosaccharide Levoglucosan<\/h4>\n<p class=\"autores\">Iciar Uriarte, Patricia \u00c9cija, Rolando Lozada\u2010Garcia, Pierre \u00c7ar\u00e7abal, Emilio J. Cocinero<\/p>\n<p class=\"medio\">ChemPhysChem | <strong>DOI<\/strong>: 10.1002\/cphc.201701242<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg\">\n<p class=\"num_publicaciones mas100\">99<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto100.jpg\" alt=\"\" width=\"138\" height=\"\" \/><\/p>\n<h4>Structural Studies of Nicotinoids: Cotinine vs. Nicotine<\/h4>\n<p class=\"autores\">Iciar Uriarte, Cristobal P\u00e9rez, Elena Caballero-Mancebo, Francisco J. Basterretxea, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal| <strong>DOI<\/strong>: 10.1002\/chem.20170002<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio divconimg \">\n<p class=\"num_publicaciones\">98<\/p>\n<p><img decoding=\"async\" loading=\"lazy\" class=\"porta_destacadas\" src=\"http:\/\/grupodeespectroscopia.es\/MW\/wp-content\/uploads\/2018\/03\/proyecto99.jpg\" alt=\"\" width=\"138\" height=\"\" \/><\/p>\n<h4>N-Methyl Inversion and Accurate Equilibrium Structures in Alkaloids: Pseudopelletierine<\/h4>\n<p class=\"autores\">Montserrat Vallejo-L\u00f3pez, Patricia Ecija, Natalja Vogt, Jean Demaison, Alberto Lesarri, Francisco J. Basterretxea, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal| <strong>DOI<\/strong>: 10.1002\/chem.201702232<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">97<\/p>\n<h4>Effects of Chlorination on the Tautomeric Equilibrium of 2-Hydroxypyridine: Experiment and Theoryl<\/h4>\n<p class=\"autores\">Camilla Calabrese, Assimo Maris, Iciar Uriarte, Emilio J. Cocinero, Sonia Melandri<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201700124<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">96<\/p>\n<h4>Comprehensive rotational spectroscopy of the newly identified atmospheric ozone depleter CF3CH2Cl<\/h4>\n<p class=\"autores\">Iciar Uriarte, Zbigniew Kisielb, Ewa Bia\u0142kowska-Jaworskab, Lech Pszcz\u00f3\u0142kowskib, Patricia Ecija, Francisco J. Basterretxea, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Journal of Molecular Spectroscopy | <strong>DOI<\/strong>: 10.1016\/j.jms.2017.02.011<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">94<\/p>\n<h4>Effects of Chlorination on the Tautomeric Equilibrium of 2-Hydroxypyridine: Experiment and Theory<\/h4>\n<p class=\"autores\">Camilla Calabrese, Assimo Maris, Iciar Uriarte, Emilio J. Cocinero, Sonia Melandri<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201604891<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">91<\/p>\n<h4>Potential energy surface of fluoroxene: experiment and theory<\/h4>\n<p class=\"autores\">Iciar Uriarte, Patricia \u00c9cija, Lorenzo Spada, Eneko Zabalza, Alberto Lesarri, Francisco J. Basterretxea, Jos\u00e9 A. Fern\u00e1ndez, Walther Caminati and Emilio J. Cocinero<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c5cp06522d<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">89<\/p>\n<h4>Solving the Tautomeric Equilibrium of Purine through Analysis of the Complex Hyperfine Structure of the Four N-14 Nuclei<\/h4>\n<p class=\"autores\">Laura B. Favero\u2020, Iciar Uriarte, Lorenzo Spada, Patricia \u00c9cija, Camilla Calabrese, Walther Caminati, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Journal of Physical Chemistry Letters | <strong>DOI<\/strong>: 10.1021\/acs.jpclett.6b00374<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">88<\/p>\n<h4>The Conformational Map of Volatile Anesthetics: Enflurane Revisited.<\/h4>\n<p class=\"autores\">Crist\u00f3bal P\u00e9rez, Elena Caballero-Mancebo, Alberto Lesarri, Emilio J. Cocinero, Ibon Alkorta, Richard D. Suenram, Jens-Uwe Grabow, Brooks H. Pate<\/p>\n<p class=\"medio\">Chemistry (Weinheim an der Bergstrasse, Germany) | <strong>DOI<\/strong>: 10.1002\/chem.201601201<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">87<\/p>\n<h4>The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations<\/h4>\n<p class=\"autores\">Natalja Vogt, Jean Demaison, Emilio J. Cocinero, Patricia \u00c9cija, Alberto Lesarri, Heinz Dieter Rudolph and J\u00fcrgen Vogt<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c6cp01842d<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">86<\/p>\n<h4>Unravelling Protein-DNA Interactions at Molecular Level: A DFT and NCI Study<\/h4>\n<p class=\"autores\">J. Gonz\u00e1lez, I. Ba\u00f1os, Iker Le\u00f3n, J. Contreras-Garc\u00eda, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Judith Mill\u00e1n<\/p>\n<p class=\"medio\">Journal of Chemical Theory and Computation | <strong>DOI<\/strong>: 10.1021\/acs.jctc.5b00330<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">85<\/p>\n<h4>Accurate Equilibrium Structures for Piperidine and Cyclohexane<\/h4>\n<p class=\"autores\">Jean Demaison, Norman C. Craig, Peter Groner, Patricia \u00c9cija, Emilio J. Cocinero, Alberto Lesarri, Heinz Dieter Rudolph<\/p>\n<p class=\"medio\">Journal of Physical Chemistry | <strong>DOI<\/strong>: 10.1021\/jp505765t<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">83<\/p>\n<h4>Chiral recognition and atropisomerism in the sevoflurane dimer<\/h4>\n<p class=\"autores\">Nathan A. Seifert, Crist\u00f3bal P\u00e9rez, Justin L. Neill, Brooks H. Pate, Montserrat Vallejo-L\u00f3pez, Alberto Lesarri, Emilio J. Cocinero, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c5cp01025<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">82<\/p>\n<h4>Conformational steering in dicarboxy acids: The native structure of succinic acid<\/h4>\n<p class=\"autores\">Michaela K. Jahn, Estibaliz M\u00e9ndez, K. P. Rajappan Nair, Peter D. Godfrey, Don McNaughton, Patricia \u00c9cija, Francisco J. Basterretxea, Emilio J. Cocinero, Jens-Uwe Grabow<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c4cp05905k<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">81<\/p>\n<h4>Stability of conformationally locked free fructose: theoretical and computational insights<\/h4>\n<p class=\"autores\">Milind M. Deshmukh, Shridhar R. Gadre, Emilio J. Cocinero<\/p>\n<p class=\"medio\">New Journal of Chemistry | <strong>DOI<\/strong>: 10.1039\/c5nj02106e<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">80<\/p>\n<h4>Structural Distortion of the Epoxy Groups in Norbornanes: A Rotational Study of exo-2,3-Epoxynorbornane<\/h4>\n<p class=\"autores\">Patricia \u00c9cija, Iziar Uriarte, Francisco J. Basterretxea,Judith Mill\u00e1n, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Emilio J. Cocinero<\/p>\n<p class=\"medio\">ChemPhysChem | <strong>DOI<\/strong>: 10.1002\/cphc.201500334<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">79<\/p>\n<h4>Competition between weak hydrogen bonds: C-H\u22efCl is preferred to C-H\u22efF in CH2ClF-H2CO, as revealed by rotational spectroscopy<\/h4>\n<p class=\"autores\">Gang Feng, Qian Gou, Luca Evangelisti, Montserrat Vallejo-L\u00f3pez, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c4cp00919c<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">78<\/p>\n<h4>Conformational flexibility of mephenesin<\/h4>\n<p class=\"autores\">Patricia \u00c9cija, Luca Evangelisti, Montserrat Vallejo, Francisco J. Basterretxea, Alberto Lesarri, Fernando Casta\u00f1o, Walther Caminati, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Journal of Physical Chemistry B | <strong>DOI<\/strong>: 10.1021\/jp5014785<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">77<\/p>\n<h4>Halogen-Halogen links and internal dynamics in adducts of freons<\/h4>\n<p class=\"autores\">Qian Gou, Lorenzo Spada, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Journal of Physical Chemistry Letters | <strong>DOI<\/strong>: 10.1021\/jz500600w<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">76<\/p>\n<h4>How water interacts with halogenated anesthetics: The rotational spectrum of isoflurane-water<\/h4>\n<p class=\"autores\">Qian Gou, Gang Feng, Linda Evangelisti, Montserrat Vallejo-L\u00f3pez, Lorenzo Spada, Alberto Lesarri, Emilio J. Cocinero, Walther CaminatiW<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201303724<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">75<\/p>\n<h4>Interactions between alkanes and aromatic molecules: a rotational study of pyridine-methane<\/h4>\n<p class=\"autores\">Qian Gou, Lorenzo Spada, Montserrat Vallejo-L\u00f3pez, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c4cp00204k<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">74<\/p>\n<h4>Interactions between freons and aromatic molecules: The rotational spectrum of pyridine-difluoromethane<\/h4>\n<p class=\"autores\">Montserrat Vallejo-L\u00f3pez, Lorenzo Spada, Qian Gou, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.cplett.2013.11.040<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">73<\/p>\n<h4>Internal dynamics in Halogen-Bonded adducts: A rotational study of chlorotrifluoromethane-formaldehyde<\/h4>\n<p class=\"autores\">Qian Gou, Gang Feng, Luca Evangelisti, Montserrat Vallejo-L\u00f3pez, Lorenzo Spada, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Chemistry &#8211; A European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201406122<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">68<\/p>\n<h4>Pseudorotational Landscape of Seven-Membered Rings: The Most Stable Chair and Twist-Boat Conformers of epsilon-Caprolactone<\/h4>\n<p class=\"autores\">Michaela K. Jahn, David A. Dewald, Montserrat Vallejo-Lopez, Emilio J. Cocinero, Alberto Lesarri, Wenli Zou, Dieter Cremer, Jens-Uwe Grabow<\/p>\n<p class=\"medio\">Chemistry-a European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201403379<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">67<\/p>\n<h4>Static and Dynamic Properties of 1,1 &#8216;-Bi-2-naphthol and Its Conjugated Acids and Bases<\/h4>\n<p class=\"autores\">Ibon Alkorta, C\u00e9line Cancedda, Emilio J. Cocinero, Juan Z. D\u00e1valos, Patrica Ecija, Jos\u00e9 Elguero, Javier Gonzalez, Alberto Lesarri, Rocio Ramos, Felipe Reviriego, Christian Roussel, Iciar Uriarte, Nicolas Vanthuyne<\/p>\n<p class=\"medio\">Chemistry-a European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201402686<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">65<\/p>\n<h4>Weak C-H center dot center dot center dot N and C-H center dot center dot center dot F hydrogen bonds and internal rotation in pyridine- CH3F<\/h4>\n<p class=\"autores\">Lorenzo Spada, Qian Gou, Montserrat Vallejo-L\u00f3pez, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c3cp54430c<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">63<\/p>\n<h4>Accurate semiexperimental structure of 1,3,4-oxadiazole by the mixed estimation method<\/h4>\n<p class=\"autores\">Jean Demaison, Michaela K. Jahn, Emilio J. Cocinero, Alberto Lesarri, Jens-Uwe Grabow, Jean-Claude Guillemin, Heinz Dieter Rudolph<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp400505v<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">59<\/p>\n<h4>Free fructose is conformationally locked<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Patricia \u00c9cija, \u00c1lvaro Cimas, Benjamin G. Davis, Francisco J. Basterretxea, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja312393m<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">57<\/p>\n<h4>Non-bonding interactions and internal dynamics in CH2F 2\u22efH2CO: A rotational and model calculations study<\/h4>\n<p class=\"autores\">Qian Gou, Gang Feng, Luca Evangelisti, Montserrat Vallejo-L\u00f3pez, Alberto Lesarri, Emilio J. Cocinero, Walther Caminati<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c3cp50306b<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">55<\/p>\n<h4>Rotational spectroscopy of antipyretics: Conformation, structure, and internal dynamics of phenazone<\/h4>\n<p class=\"autores\">Patricia Ecija, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Walther Caminati, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Journal of Chemical Physics | <strong>DOI<\/strong>: 10.1063\/1.4794693<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">53<\/p>\n<h4>Six Pyranoside Forms of Free 2-Deoxy-D-ribose<\/h4>\n<p class=\"autores\">Isabel Pe\u00f1a, Emilio J. Cocinero, Carlos Cabezas, Alberto Lesarri, Santiago Mata, Patricia \u00c9cija, Adam M. Daly, \u00c1lvaro Cimas, Celina Berm\u00fadez, Francisco J. Basterretxea,<br \/>\nSusana Blanco, Jos\u00e9 A. Fern\u00e1ndez, Juan C. L\u00f3pez, Fernando Casta\u00f1o, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1088\/0004-637X\/777\/2\/120<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">51<\/p>\n<h4>The Distorted Tropane of Scopoline<\/h4>\n<p class=\"autores\">Patricia Ecija, Emilio J. Cocinero, Alberto Lesarri, Francisco Basterretxea, Jos\u00e9 A. Fern\u00e1ndez, Fernando Castano<\/p>\n<p class=\"medio\">Chemphyschem | <strong>DOI<\/strong>: 10.1002\/cphc.20130019<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">50<\/p>\n<h4>Transition from Planar to Nonplanar Hydrogen Bond Networks in the Solvation of Aromatic Dimers: Propofol(2)-(H<sub>2<\/sub>O)(2-4)<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Judith Mill\u00e1n, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Journal of Physical Chemistry a | <strong>DOI<\/strong>: 10.1021\/jp401386y<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">42<\/p>\n<h4>Proton Tunneling in Heterodimers of Carboxylic Acids: A Rotational Study of the Benzoic Acid-Formic Acid Bimolecule<\/h4>\n<p class=\"autores\">Luca Evangelisti, Patricia \u00c9cija, Emilio J. Cocinero, Fernando Casta\u00f1o, Alberto Lesarri, Walther Caminati, Rolf Meyer<\/p>\n<p class=\"medio\">Journal of Physical Chemistry Letters | <strong>DOI<\/strong>: 10.1021\/jz3018489<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">40<\/p>\n<h4>Ribose isolated in gas<\/h4>\n<p class=\"autores\">Emilio J. Cocinero<\/p>\n<p class=\"medio\">Trac-Trends in Analytical Chemistry | <strong>DOI<\/strong>:<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">39<\/p>\n<h4>Semiexperimental Equilibrium Structures for the Equatorial Conformers of N-Methylpiperidone and Tropinone by the Mixed Estimation Method<\/h4>\n<p class=\"autores\">Jean Demaison, Norman C. Craig, Emilio J. Cocinero, Jens-Uwe Grabow, Alberto Lesarri, Heinz Dieter Rudolph<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp304178n<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">38<\/p>\n<h4>Single Hydration of the Peptide Bond: The Case of the Vince Lactam<\/h4>\n<p class=\"autores\">Patricia \u00c9cija, Francisco J. Basterretxea, Alberto Lesarri, Judith Mill\u00e1n, Fernando Casta\u00f1o, Emilio J. Cocinero<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A| <strong>DOI<\/strong>: 10.1021\/jp3072734<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">36<\/p>\n<h4>Competing hydrogen bonding in methoxyphenols: The rotational spectrum of o-vanillin<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Patricia \u00c9cija, Francisco Basterretxea, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Journal of Molecular Spectroscopy | <strong>DOI<\/strong>: 10.1016\/j.jms.2011.02.009<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">34<\/p>\n<h4>Conformational behaviour, hydrogen bond competition and intramolecular dynamics in vanillin derivatives: acetovanillone and 6-hydroxy-3-methoxyacetophenone<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Francisco J. Basterretxea, Patricia \u00c9cija, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c0cp02418j<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">29<\/p>\n<h4>N-Methyl Inversion and Structure of Six-Membered Heterocyclic Rings: Rotational Spectrum of 1-Methyl-4-piperidone<\/h4>\n<p class=\"autores\">Luca Evangelisti, Alberto Lesarri, Michaela K. Jahn, Emilio J. Cocinero, Walther Caminati, Jens-Uwe Grabow<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp112425w<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">27<\/p>\n<h4>The Halogen Bond and Internal Dynamics in the Molecular Complex of CF3Cl and H<sub>2<\/sub>O<\/h4>\n<p class=\"autores\">Luca Evangelisti, Gang Feng, Patricia \u00c9cija, Emilio J. Cocinero, Fernando Casta\u00f1o, Walther Caminati<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.201102544<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">26<\/p>\n<h4>Conformational equilibria in vanillin and ethylvanillin<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarr, Patricia \u00c9cija, Jens-Uwe Grabow, Jos\u00e9 A. Fern\u00e1ndez, Fernando Casta\u00f1.<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c0cp00585a<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">25<\/p>\n<h4>N-Methyl stereochemistry in tropinone: the conformational flexibility of the tropane motif<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Patricia \u00c9cija, Jens-Uwe Grabow, Jos\u00e9 A. Fern\u00e1ndez and Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c000528b<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">24<\/p>\n<h4>The Conformational Landscape of Nicotinoids: Solving the Conformational Disparity of Anabasine<\/h4>\n<p class=\"autores\">Alberto Lesarri, Emilio J. Cocinero, Luca Evangelisti, Richard D. Suenram, Walther Caminati, Jens-Uwe Grabow<\/p>\n<p class=\"medio\">Chemistry-a European Journal | <strong>DOI<\/strong>: 10.1002\/chem.201000849<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">12<\/p>\n<h4>The shape of neutral sarcosine in gas phase<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Pablo Villanueva, Alberto Lesarri, Maria Eugenia Sanz, Susana Blanco, Santiago Mata, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.cplett.2006.12.067<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">11<\/p>\n<h4>Conformations of \u03b1-aminobutyric acid in the gas phase<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Alberto Lesarri, Maria Eugenia Sanz, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">ChemPhysChem | <strong>DOI<\/strong>: 10.1002\/cphc.200600091<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">10<\/p>\n<h4>The glycine-water complex<\/h4>\n<p class=\"autores\">Jos\u00e9 L. Alonso, Emilio J. Cocinero, Alberto Lesarri, Maria Eugenia Sanz, Juan C. L\u00f3pez<\/p>\n<p class=\"medio\">Angewandte Chemie &#8211; International Edition | <strong>DOI<\/strong>: 10.1002\/anie.200600342x<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">9<\/p>\n<h4>The pure rotational spectrum of TeSe: Rotational parameters, Born-Oppenheimer breakdown corrections, and hyperfine constants<\/h4>\n<p class=\"autores\">Deike Banser, Jens-Uwe Grabow, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Journal of Molecular Structure | <strong>DOI<\/strong>: 10.1016\/j.molstruc.2006.02.041<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">8<\/p>\n<h4>Coded amino acids in gas phase: The shape of isoleucine<\/h4>\n<p class=\"autores\">Alberto Lesarri, Raquel Sanchez, Emilio J. Cocinero, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja0528073<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">7<\/p>\n<h4>Gas-phase structure of N,N-dimethylglycine<\/h4>\n<p class=\"autores\">Alberto Lesarri, R Sanchez, Emilio J. Cocinero, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Chemphyschem | <strong>DOI<\/strong>: 10.1002\/cphc.200500103<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">6<\/p>\n<h4>Shape of 4(S)- and 4(R)-hydroxyproline in gas phase<\/h4>\n<p class=\"autores\">Alberto Lesarri, Raquel Sanchez, Emilio J. Cocinero, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: https:\/\/doi.org\/10.1021\/ja045955m<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">5<\/p>\n<h4>The internuclear potential, electronic structure, and chemical bond of tellurium selenide<\/h4>\n<p class=\"autores\">Deike Banser, Melanie Schnell, Jens-Uwe Grabow, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1002\/anie.2005016583<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">4<\/p>\n<h4>Weak hydrogen bonds C-H center dot center dot center dot S and C-H center dot center dot center dot F-C in the thiirane-trifluoromethane dimer<\/h4>\n<p class=\"autores\">Emilio J. Cocinero Sanchez, Raquel S\u00e1nchez, Susana Blanco, Alberto Lesarri, Juan C. L\u00f3pez , Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.ciplett.2004.11.073<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">3<\/p>\n<h4>Weak hydrogen bonds C-H\u22efS and C-H\u22efF-C in the thiirane-trifluoromethane dimer<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Raquel S\u00e1nchez, Susana Blanco, Alberto Lesarri, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.cplett.2004.11.073<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">2<\/p>\n<h4>The shape of neutral valine<\/h4>\n<p class=\"autores\">Alberto Lesarri, Emilio J. Cocinero, Juan C. L\u00f3pez , Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.200352543<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">1<\/p>\n<h4>The structure of neutral proline<\/h4>\n<p class=\"autores\">Alberto Lesarri, Santiago Mata, Emilio J. Cocinero Blanco, Susana Blanco, Juan C. L\u00f3pez, Jos\u00e9 L. Alonso<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1039\/c6cp00560h7.02.011<\/p>\n<\/div>\n\n\t\t<\/div>\n\t\n\n\t\t<div class=\"pane\">\n\t\t\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones mas100\">100<\/p>\n<h4>Understanding the role of tyrosine in glycogenin<\/h4>\n<p class=\"autores\">Ander Camiruaga, Imanol Usabiaga, Aran Insausti, Emilio J. Cocinero, Iker Le\u00f3n, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Molecular BioSystems | <strong>DOI<\/strong>: 10.1039\/c7mb00293a2<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">97<\/p>\n<h4>High conductance values in \u03c0-folded molecular junctions<\/h4>\n<p class=\"autores\">Marco Carini, Marta P. Ruiz, Imanol Usabiaga, Jos\u00e9 A. Fern\u00e1ndez, Emilio J. Cocinero, Manuel Melle-Franco, Ismael Diez-Perez, Aurelio Mateo-Alonso<\/p>\n<p class=\"medio\">Nature Communications | <strong>DOI<\/strong>: 10.1038\/ncomms15195<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">95<\/p>\n<h4>Influence of the Anomeric Conformation in the Intermolecular Interactions of Glucose<\/h4>\n<p class=\"autores\">Imanol Usabiaga, Jorge Gonz\u00e1lez, Iker Le\u00f3n, Pedro F. Arnaiz, Emilio J. Cocinero, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">The journal of physical chemistry letters | <strong>DOI<\/strong>: 10.1021\/acs.jpclett.7b00151<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">92<\/p>\n<h4>Modeling the tyrosine-sugar interactions in supersonic expansions: glucopyranose-phenol clusters<\/h4>\n<p class=\"autores\">Imanol Usabiaga, Jorge Gonz\u00e1lez, Pedro F. Arn\u00e1iz, Iker Le\u00f3n, Emilio J. Cocinero, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c6cp00560h<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">86<\/p>\n<h4>Unravelling Protein-DNA Interactions at Molecular Level: A DFT and NCI Study<\/h4>\n<p class=\"autores\">J. Gonz\u00e1lez, I. Ba\u00f1os, Iker Le\u00f3n, J. Contreras-Garc\u00eda, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez, Judith Mill\u00e1n<\/p>\n<p class=\"medio\">Journal of Chemical Theory and Computation | <strong>DOI<\/strong>: 10.1021\/acs.jctc.5b00330<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">72<\/p>\n<h4>Mimicking anesthetic-receptor interactions in jets: the propofol-isopropanol cluster<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Imanol Usabiaga, Judith Mill\u00e1n, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c4cp01702a<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">71<\/p>\n<h4>Molecular hydration of propofol dimers in supersonic expansions: formation of active centre-like structures<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Judith Mill\u00e1n, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c4cp03101f<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">66<\/p>\n<h4>Water Encapsulation by Nanomicelles<\/h4>\n<p class=\"autores\">Iker Leon, Judith Millan, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fernandez<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.201405652<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">64<\/p>\n<h4>&#8216;Naked&#8217; and hydrated conformers of the conserved core pentasaccharide of N-linked glycoproteins and its building blocks<\/h4>\n<p class=\"autores\">Conor S. Barry, Emilio J. Cocinero, Pierre \u00c7ar\u00e7abal, David P. Gamblin, E. Cristina Stanca-Kaposta, Sarah M. Remmert, Mar\u00eda C. Fern\u00e1ndez-Alonso, Svemir Rudi\u0107, John P. Simons, Benjamin G. Davis<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja405667<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">62<\/p>\n<h4>Binding energies of micro-hydrated carbohydrates: Measurements and interpretation<\/h4>\n<p class=\"autores\">Pierre \u00c7ar\u00e7abal, Emilio J. Cocinero and John P. Simons<\/p>\n<p class=\"medio\">Chemical Science | <strong>DOI<\/strong>: 10.1039\/c3sc50135c<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">61<\/p>\n<h4>Carbohydrate-aromatic interactions: Vibrational spectroscopy and structural assignment of isolated monosaccharide complexes with p-hydroxy toluene and N-acetyl L-tyrosine methylamide<\/h4>\n<p class=\"autores\">E. Cristina Stanca-Kaposta, Pierre \u00c7ar\u00e7abal, Emilio J. Cocinero, Paola Hurtado, John P. Simons<\/p>\n<p class=\"medio\">Journal of Physical Chemistry B | <strong>DOI<\/strong>: 10.1021\/jp404527s<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">60<\/p>\n<h4>Formation of water polyhedrons in propofol-water clusters<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Emilio J. Cocinero, Anouk M. Rijs, Judith Mill\u00e1n, Eduardo Alonso, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c2cp42304a<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">58<\/p>\n<h4>Magic numbers in the solvation of the propofol dimer<\/h4>\n<p class=\"autores\">Iker Leon, Judith Millan, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fernandez<\/p>\n<p class=\"medio\">ChemPhysChem | <strong>DOI<\/strong>: 10.1002\/cphc.201300205<\/p>\n<\/div>\n<p>&lt;\/a &gt;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">54<\/p>\n<h4>Shaping Micelles: The Interplay Between Hydrogen Bonds and Dispersive Interactions<\/h4>\n<p class=\"autores\">Iker Leon, Judith Millan, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fernandez<\/p>\n<p class=\"medio\">Angewandte Chemie-International Edition | <strong>DOI<\/strong>: 10.1002\/anie.201303245<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">50<\/p>\n<h4>Transition from Planar to Nonplanar Hydrogen Bond Networks in the Solvation of Aromatic Dimers: Propofol(2)-(H<sub>2<\/sub>O)(2-4)<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Judith Mill\u00e1n, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Journal of Physical Chemistry a | <strong>DOI<\/strong>: 10.1021\/jp401386y<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">49<\/p>\n<h4>Unraveling the Benzocaine-Receptor Interaction at Molecular Level Using Mass-Resolved Spectroscopy<\/h4>\n<p class=\"autores\">Edurne Aguado, Iker Le\u00f3n, Judith Mill\u00e1n, Emilio J. Cocinero, Sander Jaeqx, Anouk M. Rijs, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Journal of Physical Chemistry B | <strong>DOI<\/strong>: 10.1021\/jp4068944<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">47<\/p>\n<h4>A combined spectroscopic and theoretical study of propofol\u00b7(H<sub>2<\/sub>O)3.<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Emilio J. Cocinero, Judith Mill\u00e1n, Anouk M. Rijs, Imanol Usabiaga, Alberto Lesarri, Fernando Casta\u00f1o, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">The Journal of chemical physics | <strong>DOI<\/strong>:<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">46<\/p>\n<h4>A Spectroscopic Approach to the Solvation of Anesthetics in Jets: Propofol(H<sub>2<\/sub>O)(n), n=4-6<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Emilio J. Cocinero, Alberto Lesarri, Fernando Casta\u00f1o, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Journal of Physical Chemistry a | <strong>DOI<\/strong>: 10.1021\/jp0305795u<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">45<\/p>\n<h4>A spectroscopic approach to the solvation of anesthetics in jets: Propofol(H<sub>2<\/sub>O)<sub><i>n<\/i><\/sub>, <i>n<\/i> = 4\u20136<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Emilio J. Cocinero, Alberto Lesarri, Fernando Casta\u00f1o, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp305795<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">44<\/p>\n<h4>Exploring microsolvation of the anesthetic propofoL<\/h4>\n<p class=\"autores\">Iker Leon, Emilio J. Cocinero, Judith Mill\u00e1n, Sander Jaeqx, Anouk M. Rijs, Alberto Lesarri, Fernando Casta\u00f1oa, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c2cp23583h<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">43<\/p>\n<h4>Mimicking anaesthetic-receptor interaction: a combined spectroscopic and computational study of propofol center dot center dot center dot phenol<\/h4>\n<p class=\"autores\">Iker Le\u00f3n, Judith Mill\u00e1n, Emilio J. Cocinero, Alberto Lesarri, Fernando Casta\u00f1o, Jos\u00e9 A. Fern\u00e1ndez<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c2cp40656j<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">37<\/p>\n<h4>Carbohydrate hydration: heavy water complexes of alpha and beta anomers of glucose, galactose, fucose and xylose<\/h4>\n<p class=\"autores\">Nitzan Mayorkas, Svemir Rudi\u0107, Emilio J. Cocinero, Benjamin G. Davis, John P. Simons<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/c1cp22348h<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">35<\/p>\n<h4>Computaional studies of saccharide hydration: Spectroscopy, structure and dynamics<\/h4>\n<p class=\"autores\">PMadeleine Pincu, HB Xie, J Lin, Brina Brauer, John P. Simons; I Bar, Emilio J. Cocinero, Nitzan Mayorkas, Buch, V, R. Benny Gerber<\/p>\n<p class=\"medio\">Abstracts of Papers of the American Chemical Society<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">32<\/p>\n<h4>Exploring Carbohydrate-Peptide Interactions in the Gas Phase: Structure and Selectivity in Complexes of Pyranosides with N-Acetylphenylalanine Methylamide<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, Pierre \u00c7ar\u00e7abal, Timothy D. Vaden, Benjamin G. Davis John P. Simons<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja109664k<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">31<\/p>\n<h4>Gas phase spectroscopy of hydrated carbohydrates: The anomeric effect laid bare<\/h4>\n<p class=\"autores\">John P. Simons, Mayorkas, N; Emilio J. Cocinero, Rudic, S; Gerber, RB; Benjamin G. Davis<\/p>\n<p class=\"medio\">Abstracts of Papers of the American Chemical Society<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">30<\/p>\n<h4>Isotopic Hydration of Cellobiose: Vibrational Spectroscopy and Dynamical Simulations<\/h4>\n<p class=\"autores\">Madeleine Pincu, Emilio J. Cocinero, Nitzan Mayorkas, Brina Brauer, Benjamin G. Davis, R. Benny Gerber, John P. Simons<\/p>\n<p class=\"medio\">Journal of Physical Chemistry A | <strong>DOI<\/strong>: 10.1021\/jp112109p<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">23<\/p>\n<h4>Carbohydrate-aromatic interactions: A computational and IR spectroscopic investigation of the complex, methyl \u03b1-l-fucopyranoside \u00b7 toluene, isolated in the gas phase<\/h4>\n<p class=\"autores\">Zheng Su, Emilio J. Cocinero, E. Cristina Stanca-Kaposta, Benjamin G. Davis, John P. Simons<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.cplett.2009.02.043<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">22<\/p>\n<h4>Conformational change and selectivity in explicitly hydrated carbohydrates<\/h4>\n<p class=\"autores\">John P. Simons, Benjamin G. Davis, Emilio J. Cocinero, David P. Gamblin, E.Cristina Stanca-Kaposta<\/p>\n<p class=\"medio\">Tetrahedron Asymmetry | <strong>DOI<\/strong>: 10.1016\/j.tetasy.2009.02.032<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">20<\/p>\n<h4>Molecular recognition in the gas phase: benzocaine-phenol as a model of anaesthetic-receptor interaction<\/h4>\n<p class=\"autores\">Edurne Aguado, Iker Le\u00f3n, Emilio J. Cocinero, Alberto Lesarri, Jos\u00e9 A. Fern\u00e1ndez and Fernando Casta\u00f1o<\/p>\n<p class=\"medio\">Physical Chemistry Chemical Physics | <strong>DOI<\/strong>: 10.1039\/b915325j<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">19<\/p>\n<h4>Peptide secondary structures in the gas phase: consensus motif of N-linked glycoproteins<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, E. Cristina Stanca-Kaposta, David P. Gamblin, Benjamin G. Davis and John P. Simons<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja808687j<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">18<\/p>\n<h4>The building blocks of cellulose: the intrinsic conformational structures of cellobiose, its epimer, lactose and their singly hydrated complexes<\/h4>\n<p class=\"autores\">Emilio J. Cocinero, David P. Gamblin, Benjamin G. Davis, John P. Simons<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja903322w<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">17<\/p>\n<h4>The intrinsic conformation of a Lewis antigen: the Lewis \u00d7 trisaccharide<\/h4>\n<p class=\"autores\">Zheng Su, Beatrice Wagner, Emilio J. Cocinero, Beat Ernst, John P. Simons<\/p>\n<p class=\"medio\">Chemical Physics Letters | <strong>DOI<\/strong>: 10.1016\/j.cplett.2009.07.006<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">15<\/p>\n<h4>Probing the glycosidic linkage: secondary structures in the gas phase<\/h4>\n<p class=\"autores\">John P Simons, E. Cristina Stanca-Kaposta1, Emilio J. Cocinero, B Liu1, Benjamin G Davis, David P Gamblin and Romano T Kroemer<\/p>\n<p class=\"medio\">Physica Scripta | <strong>DOI<\/strong>: 10.1088\/0031-8949\/78\/05\/058124<\/p>\n<\/div>\n<p>&nbsp;<\/p>\n<div class=\"publi_emilio\">\n<p class=\"num_publicaciones\">14<\/p>\n<h4>Solvent interactions and conformational choice in a core N-glycan segment: Gas phase conformation of the central, branching trimannose unit and its singly hydrated complex<\/h4>\n<p class=\"autores\">E. Cristina Stanca-Kaposta, David P. Gamblin, Emilio J. Cocinero, Jann Frey, Romano T. Kroemer, Antony J. Fairbanks, Benjamin G. Davis and John P. Simons<\/p>\n<p class=\"medio\">Journal of the American Chemical Society | <strong>DOI<\/strong>: 10.1021\/ja801892h<\/p>\n<\/div>\n\n\t\t<\/div>\n\t\n\t\t<\/div>\n\t\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":[],"acf":[],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/pages\/515"}],"collection":[{"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/comments?post=515"}],"version-history":[{"count":139,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/pages\/515\/revisions"}],"predecessor-version":[{"id":1514,"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/pages\/515\/revisions\/1514"}],"wp:attachment":[{"href":"https:\/\/grupodeespectroscopia.es\/MW\/wp-json\/wp\/v2\/media?parent=515"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}