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1

Magic Numbers in the Solvation of the Propofol Dimer

León, Iker, Millán, Judith, Cocinero, Emilio J., Lesarri, Alberto, Fernández, José A.

Journal:

Year:

2013

Language:

english

File:

PDF, 1.17 MB

english, 2013

2

The Structure of Neutral Proline

Alberto Lesarri, Santiago Mata, Emilio J. Cocinero, Susana Blanco, Juan C. López, José L. Alonso

Journal:

Angewandte Chemie

Year:

2002

Language:

english

File:

PDF, 248 KB

english, 2002

3

The Shape of Neutral Valine

Alberto Lesarri, Emilio J. Cocinero, Juan C. López, José L. Alonso

Journal:

Angewandte Chemie

Year:

2004

Language:

english

File:

PDF, 159 KB

english, 2004

4

Kern-Kern-Potential, Elektronenstruktur und chemische Bindung von Tellurselenid

Deike Banser, Melanie Schnell, Jens-Uwe Grabow, Emilio J. Cocinero, Alberto Lesarri, José L. Alonso

Journal:

Angewandte Chemie

Year:

2005

Language:

german

File:

PDF, 187 KB

german, 2005

5

The Glycine–Water Complex

José L. Alonso, Emilio J. Cocinero, Alberto Lesarri, M. Eugenia Sanz, Juan C. López

Journal:

Angewandte Chemie

Year:

2006

Language:

english

File:

PDF, 167 KB

english, 2006

6

Titelbild: Mehrdimensionale Bewegungen mit großer Amplitude: Aufdeckung simultaner Tunnelpfade in Molekülen mit mehreren internen Rotoren / The Glycine–Water Complex (Angew. Chem. 21/2006)

Melanie Schnell, Jens-Uwe Grabow, José L. Alonso, Emilio J. Cocinero, Alberto Lesarri, M. Eugenia Sanz, Juan C. López

Journal:

Angewandte Chemie

Year:

2006

Language:

german

File:

PDF, 142 KB

german, 2006

7

The Halogen Bond and Internal Dynamics in the Molecular Complex of CF3Cl and H2O

Dr. Luca Evangelisti, Gang Feng, Dr. Patricia Écija, Dr. Emilio J. Cocinero, Prof. Fernando Castaño, Prof. Walther Caminati

Journal:

Angewandte Chemie

Year:

2011

Language:

english

File:

PDF, 409 KB

english, 2011

8

The Structure of Neutral Proline

Alberto Lesarri, Santiago Mata, Emilio J. Cocinero, Susana Blanco, Juan C. López, José L. Alonso

Journal:

Angewandte Chemie International Edition

Year:

2002

Language:

english

File:

PDF, 132 KB

english, 2002

9

The Shape of Neutral Valine

Alberto Lesarri, Emilio J. Cocinero, Juan C. López, José L. Alonso

Journal:

Angewandte Chemie International Edition

Year:

2004

Language:

english

File:

PDF, 160 KB

english, 2004

10

The Internuclear Potential, Electronic Structure, and Chemical Bond of Tellurium Selenide

Deike Banser, Melanie Schnell, Jens-Uwe Grabow, Emilio J. Cocinero, Alberto Lesarri, José L. Alonso

Journal:

Angewandte Chemie International Edition

Year:

2005

Language:

english

File:

PDF, 187 KB

english, 2005

11

The Glycine–Water Complex

José L. Alonso, Emilio J. Cocinero, Alberto Lesarri, M. Eugenia Sanz, Juan C. López

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 168 KB

english, 2006

12

Cover Picture: Multidimensional Large-Amplitude Motion: Revealing Concurrent Tunneling Pathways in Molecules with Several Internal Rotors / The Glycine–Water Complex (Angew. Chem. Int. Ed. 21/2006)

Melanie Schnell, Jens-Uwe Grabow, José L. Alonso, Emilio J. Cocinero, Alberto Lesarri, M. Eugenia Sanz, Juan C. López

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 143 KB

english, 2006

13

The Halogen Bond and Internal Dynamics in the Molecular Complex of CF3Cl and H2O

Dr. Luca Evangelisti, Gang Feng, Dr. Patricia Écija, Dr. Emilio J. Cocinero, Prof. Fernando Castaño, Prof. Walther Caminati

Journal:

Angewandte Chemie International Edition

Year:

2011

Language:

english

File:

PDF, 392 KB

english, 2011

14

Conformational Choice and Selectivity in Singly and Multiply Hydrated Monosaccharides in the Gas Phase

Emilio J. Cocinero, E. Cristina Stanca-Kaposta, Eoin M. Scanlan, David P. Gamblin, Benjamin G. Davis, John P. Simons

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 674 KB

english, 2008

15

Hydration of Sugars in the Gas Phase: Regioselectivity and Conformational Choice in N-Acetyl Glucosamine and Glucose

Emilio J. Cocinero, E. Cristina Stanca-Kaposta, Mark Dethlefsen, Bo Liu, David P. Gamblin, Benjamin G. Davis, John P. Simons

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 589 KB

english, 2009

16

The Conformational Landscape of Nicotinoids: Solving the Conformational Disparity of Anabasine

Alberto Lesarri, Emilio J. Cocinero, Luca Evangelisti, Richard D. Suenram, Walther Caminati, Jens-Uwe Grabow

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 281 KB

english, 2010

17

ChemInform Abstract: Probing the Glycosidic Linkage: Secondary Structures in the Gas Phase

John P. Simons, E. Cristina Stanca-Kaposta, Emilio J. Cocinero, B. Liu, Benjamin G. Davis, David P. Gamblin, Romano T. Kroemer

Journal:

Year:

2009

File:

PDF, 15 KB

2009

18

ChemInform Abstract: Conformational Change and Selectivity in Explicitly Hydrated Carbohydrates

John P. Simons, Benjamin G. Davis, Emilio J. Cocinero, David P. Gamblin, E. Cristina Stanca-Kaposta

Journal:

Year:

2009

File:

PDF, 11 KB

2009

19

Gas-Phase Structure of N,N-Dimethylglycine

Alberto Lesarri, Emilio J. Cocinero, Juan C. López, José L. Alonso

Journal:

Year:

2005

Language:

english

File:

PDF, 173 KB

english, 2005

20

Conformations of α-Aminobutyric Acid in the Gas Phase

Emilio J. Cocinero, Alberto Lesarri, M. Eugenia Sanz, Juan C. López, José L. Alonso

Journal:

Year:

2006

Language:

english

File:

PDF, 252 KB

english, 2006

21

The Shape of Leucine in the Gas Phase

Emilio J. Cocinero, Alberto Lesarri, Jens-Uwe Grabow, Juan C. López, José L. Alonso

Journal:

Year:

2007

Language:

english

File:

PDF, 208 KB

english, 2007

22

The pure rotational spectrum of TeSe: Rotational parameters, Born–Oppenheimer breakdown corrections, and hyperfine constants

Deike Banser, Jens-Uwe Grabow, Emilio J. Cocinero, Alberto Lesarri, José L. Alonso

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 485 KB

english, 2006

23

Weak hydrogen bonds C–H⋯S and C–H⋯F–C in the thiirane–trifluoromethane dimer

Emilio J. Cocinero, Raquel Sánchez, Susana Blanco, Alberto Lesarri, Juan C. López, José L. Alonso

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 227 KB

english, 2005

24

The shape of neutral sarcosine in gas phase

Emilio J. Cocinero, Pablo Villanueva, Alberto Lesarri, M. Eugenia Sanz, Susana Blanco, Santiago Mata, Juan C. López, José L. Alonso

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 397 KB

english, 2007

25

Carbohydrate–aromatic interactions: A computational and IR spectroscopic investigation of the complex, methyl α-l-fucopyranoside · toluene, isolated in the gas phase

Zheng Su, Emilio J. Cocinero, E. Cristina Stanca-Kaposta, Benjamin G. Davis, John P. Simons

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 634 KB

english, 2009

26

The intrinsic conformation of a Lewis antigen: The Lewis × trisaccharide

Zheng Su, Beatrice Wagner, Emilio J. Cocinero, Beat Ernst, John P. Simons

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 392 KB

english, 2009

27

Competing hydrogen bonding in methoxyphenols: The rotational spectrum of o-vanillin

Emilio J. Cocinero, Alberto Lesarri, Patricia Écija, Francisco Basterretxea, José A. Fernández, Fernando Castaño

Journal:

Journal of Molecular Spectroscopy

Year:

2011

Language:

english

File:

PDF, 376 KB

english, 2011

28

Conformational change and selectivity in explicitly hydrated carbohydrates

John P. Simons, Benjamin G. Davis, Emilio J. Cocinero, David P. Gamblin, E.Cristina Stanca-Kaposta

Journal:

Tetrahedron: Asymmetry

Year:

2009

Language:

english

File:

PDF, 753 KB

english, 2009

29

Sensing the anomeric effect in a solvent-free environment

Cocinero, Emilio J., Carcabal, Pierre, Vaden, Timothy D., Simons, John P., Davis, Benjamin G.

Journal:

Year:

2011

Language:

english

File:

PDF, 794 KB

english, 2011

30

Coded Amino Acids in Gas Phase: The Shape of Isoleucine

Lesarri, Alberto, Sánchez, Raquel, Cocinero, Emilio J., López, Juan C., Alonso, José L.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 166 KB

english, 2005

31

Ribose Found in the Gas Phase

Dr. Emilio J. Cocinero, Prof. Alberto Lesarri, Dr. Patricia Écija, Dr. Francisco J. Basterretxea, Prof. Jens-Uwe Grabow, Dr. José A. Fernández, Prof. Fernando Castaño

Journal:

Angewandte Chemie

Year:

2012

Language:

english

File:

PDF, 866 KB

english, 2012

32

Innentitelbild: Ribose Found in the Gas Phase (Angew. Chem. 13/2012)

Dr. Emilio J. Cocinero, Prof. Alberto Lesarri, Dr. Patricia Écija, Dr. Francisco J. Basterretxea, Prof. Jens-Uwe Grabow, Dr. José A. Fernández, Prof. Fernando Castaño

Journal:

Angewandte Chemie

Year:

2012

File:

PDF, 1.10 MB

2012

33

Ribose Found in the Gas Phase

Dr. Emilio J. Cocinero, Prof. Alberto Lesarri, Dr. Patricia Écija, Dr. Francisco J. Basterretxea, Prof. Jens-Uwe Grabow, Dr. José A. Fernández, Prof. Fernando Castaño

Journal:

Angewandte Chemie International Edition

Year:

2012

Language:

english

File:

PDF, 877 KB

english, 2012

34

Inside Cover: Ribose Found in the Gas Phase (Angew. Chem. Int. Ed. 13/2012)

Dr. Emilio J. Cocinero, Prof. Alberto Lesarri, Dr. Patricia Écija, Dr. Francisco J. Basterretxea, Prof. Jens-Uwe Grabow, Dr. José A. Fernández, Prof. Fernando Castaño

Journal:

Angewandte Chemie International Edition

Year:

2012

File:

PDF, 1.11 MB

2012

35

Mimicking anaesthetic–receptor interaction: a combined spectroscopic and computational study of propofol⋯phenol

León, Iker, Millán, Judith, Cocinero, Emilio J., Lesarri, Alberto, Castaño, Fernando, Fernández, José A.

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.81 MB

english, 2012

36

Conformational behaviour, hydrogen bond competition and intramolecular dynamics in vanillin derivatives: acetovanillone and 6-hydroxy-3-methoxyacetophenone

Cocinero, Emilio J., Basterretxea, Francisco J., Écija, Patricia, Lesarri, Alberto, Fernández, José A., Castaño, Fernando

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.83 MB

english, 2011

37

Rotational spectroscopy of antipyretics: Conformation, structure, and internal dynamics of phenazone

Écija, Patricia, Cocinero, Emilio J., Lesarri, Alberto, Fernández, José A., Caminati, Walther, Castaño, Fernando

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.07 MB

english, 2013

38

The Distorted Tropane of Scopoline

Écija, Patricia, Cocinero, Emilio J., Lesarri, Alberto, Basterretxea, Francisco J., Fernández, José A., Castaño, Fernando

Journal:

Year:

2013

Language:

english

File:

PDF, 730 KB

english, 2013

39

Non-bonding interactions and internal dynamics in CH2F2⋯H2CO: a rotational and model calculations study

Gou, Qian, Feng, Gang, Evangelisti, Luca, Vallejo-López, Montserrat, Lesarri, Alberto, Cocinero, Emilio J., Caminati, Walther

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.16 MB

english, 2013

40

Shaping Micelles: The Interplay Between Hydrogen Bonds and Dispersive Interactions

León, Iker, Millán, Judith, Cocinero, Emilio J., Lesarri, Alberto, Fernández, José A.

Journal:

Angewandte Chemie International Edition

Year:

2013

Language:

english

File:

PDF, 1.53 MB

english, 2013

41

Inside Back Cover: Shaping Micelles: The Interplay Between Hydrogen Bonds and Dispersive Interactions (Angew. Chem. Int. Ed. 30/2013)

León, Iker, Millán, Judith, Cocinero, Emilio J., Lesarri, Alberto, Fernández, José A.

Journal:

Angewandte Chemie International Edition

Year:

2013

File:

PDF, 5.99 MB

2013

42

Binding energies of micro-hydrated carbohydrates: measurements and interpretation

Çarçabal, Pierre, Cocinero, Emilio J., Simons, John P.

Journal:

Chemical Science

Year:

2013

Language:

english

File:

PDF, 413 KB

english, 2013

43

Rotational Spectra of Bicyclic Decanes: The Trans Conformation of (−)-Lupinine

Jahn, Michaela K., Dewald, David, Vallejo-López, Montserrat, Cocinero, Emilio J., Lesarri, Alberto, Grabow, Jens-Uwe

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 553 KB

english, 2013

44

N-Methyl stereochemistry in tropinone: the conformational flexibility of the tropane motif

Cocinero, Emilio J., Lesarri, Alberto, Écija, Patricia, Grabow, Jens-Uwe, Fernández, José A., Castaño, Fernando

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.27 MB

english, 2010

45

Six Pyranoside Forms of Free 2-Deoxy- D -ribose

Peña, Isabel, Cocinero, Emilio J., Cabezas, Carlos, Lesarri, Alberto, Mata, Santiago, Écija, Patricia, Daly, Adam M., Cimas, Álvaro, Bermúdez, Celina, Basterretxea, Francisco J., Blanco, Susana, Ferná

Journal:

Angewandte Chemie

Year:

2013

Language:

english

File:

PDF, 934 KB

english, 2013

46

Free Fructose Is Conformationally Locked

Cocinero, Emilio J., Lesarri, Alberto, Écija, Patricia, Cimas, Álvaro, Davis, Benjamin G., Basterretxea, Francisco J., Fernández, José A., Castaño, Fernando

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 1.05 MB

english, 2013

47

Conformational equilibria in vanillin and ethylvanillin

Cocinero, Emilio J., Lesarri, Alberto, Écija, Patricia, Grabow, Jens-Uwe, Fernández, José A., Castaño, Fernando

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.63 MB

english, 2010

48

Accurate Semiexperimental Structure of 1,3,4-Oxadiazole by the Mixed Estimation Method

Demaison, Jean, Jahn, Michaela K., Cocinero, Emilio J., Lesarri, Alberto, Grabow, Jens-Uwe, Guillemin, Jean-Claude, Rudolph, Heinz Dieter

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 260 KB

english, 2013

49

Unraveling the Benzocaine–Receptor Interaction at Molecular Level Using Mass-Resolved Spectroscopy

Aguado, Edurne, León, Iker, Millán, Judith, Cocinero, Emilio J., Jaeqx, Sander, Rijs, Anouk M., Lesarri, Alberto, Fernández, José A.

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 2.21 MB

english, 2013

50

Interactions between freons and aromatic molecules: The rotational spectrum of pyridine–difluoromethane

Vallejo-López, Montserrat, Spada, Lorenzo, Gou, Qian, Lesarri, Alberto, Cocinero, Emilio J., Caminati, Walther

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 602 KB

english, 2014