Graton, Jerome: search on Z-Library

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1

Interpretation of experimental hydrogen-bond enthalpies and entropies from COSMO polarisation charge densities

Klamt, Andreas, Reinisch, Jens, Eckert, Frank, Graton, Jérôme, Le Questel, Jean-Yves

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.20 MB

english, 2013

2

Reducing the lipophilicity of perfluoroalkyl groups by CF2–F/CF2-Me or CF3/CH3 exchange

Jeffries, Benjamin, Wang, Zhong, Graton, Jerome, Holland, Simon David, Brind, Thomasin, Greenwood, Ryan David Robert, Le Questel, Jean-Yves, Scott, James S., Chiarparin, Elisabetta, Linclau, Bruno

Journal:

Journal of Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 1.58 MB

english, 2018

3

Thiodiketopiperazines with two spirocyclic centers extracted from Botryosphaeria mamane, an endophytic fungus isolated from Bixa orellana L.

Barakat, Fatima, Vansteelandt, Marieke, Triastuti, Asih, Jargeat, Patricia, Jacquemin, Denis, Graton, Jérôme, Mejia, Kember, Cabanillas, Billy, Vendier, Laure, Stigliani, Jean-Luc, Haddad, Mohamed, Fa

Journal:

Year:

2019

Language:

english

File:

PDF, 1.02 MB

english, 2019

4

An Enthalpic Scale of Hydrogen-Bond Basicity. 3. Ammonia, Primary, Secondary, and Tertiary Amines

Graton, Jérôme, Berthelot, Michel, Besseau, François, Laurence, Christian

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 303 KB

english, 2005

5

New insights on the molecular features and electrophysiological properties of dinotefuran, imidacloprid and acetamiprid neonicotinoid insecticides

Jean-Yves Le Questel, Jérôme Graton, José P. Cerón-Carrasco, Denis Jacquemin, Aurélien Planchat, Steeve H. Thany

Journal:

Bioorganic & Medicinal Chemistry

Year:

2011

Language:

english

File:

PDF, 1.12 MB

english, 2011

6

A Theoretical Evaluation of the pKHB and Δ Hydrogen-Bond Scales of Nitrogen Bases

François Besseau, Jérôme Graton, Michel Berthelot

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 400 KB

english, 2008

7

Permethrin enhances the agonist activity of dinotefuran on insect cholinergic synaptic transmission and isolated neurons

Cartereau, Alison, Houchat, Jean-Noël, Mannai, Safa, Varloud, Marie, Karembé, Hamadi, Graton, Jérôme, Le Questel, Jean-Yves, Thany, Steeve H.

Journal:

NeuroToxicology

Year:

2018

Language:

english

File:

PDF, 926 KB

english, 2018

8

Influence of Alcohol β-Fluorination on Hydrogen-Bond Acidity of Conformationally Flexible Substrates

Graton, Jerome, Compain, Guillaume, Besseau, François, Bogdan, Elena, Watts, Joe, Mtashobya, Lewis, Wang, Zhong, Weymouth-Wilson, Alex, Galland, Nicolas, Le Questel, Jean-Yves, Linclau, Bruno

Journal:

Chemistry - A European Journal

Year:

2016

Language:

english

File:

PDF, 1.88 MB

english, 2016

9

Study of N1-alkylation of indoles from the reaction of 2(or 3)-aminoindole-3-(or 2)carbonitriles with DMF-dialkylacetals

Loidreau, Yvonnick, Melissen, Sigismund, Levacher, Vincent, Logé, Cédric, Graton, Jérôme, Le Questel, Jean-Yves, Besson, Thierry

Journal:

Organic & Biomolecular Chemistry

Year:

2012

Language:

english

File:

PDF, 910 KB

english, 2012

10

Site of Protonation of Nicotine and Nornicotine in the Gas Phase: Pyridine or Pyrrolidine Nitrogen?

Graton, Jérôme, Berthelot, Michel, Gal, Jean-François, Girard, Sandrine, Laurence, Christian, Lebreton, Jacques, Le Questel, Jean-Yves, Maria, Pierre-Charles, Nauš, Petr

Journal:

Journal of the American Chemical Society

Year:

2002

Language:

english

File:

PDF, 185 KB

english, 2002

11

New Insights on the Molecular Recognition of Imidacloprid with Aplysia californica AChBP: A Computational Study

Cerón-Carrasco, José P., Jacquemin, Denis, Graton, Jérôme, Thany, Steeve, Le Questel, Jean-Yves

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 3.51 MB

english, 2013

12

A Study of Intramolecular Hydrogen Bonding in Levoglucosan Derivatives

Quiquempoix, Lucas, Bogdan, Elena, Wells, Neil, Le Questel, Jean-Yves, Graton, Jérôme, Linclau, Bruno

Journal:

Year:

2017

Language:

english

File:

PDF, 3.43 MB

english, 2017

13

On the Interplay Between Charge‐Shift Bonding and Halogen Bonding

Sarr, Serigne, Graton, Jérôme, Montavon, Gilles, Pilmé, Julien, Galland, Nicolas

Journal:

Year:

2019

Language:

english

File:

PDF, 1.65 MB

english, 2019

14

Hydrogen-Bond Acidity of OH Groups in Various Molecular Environments (Phenols, Alcohols, Steroid Derivatives, and Amino Acids Structures): Experimental Measurements and Density Functional Theory Calculations

Graton, Jérôme, Besseau, François, Brossard, Anne-Marie, Charpentier, Eloïse, Deroche, Arnaud, Le Questel, Jean-Yves

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.18 MB

english, 2013

15

The Exceptional Hydrogen-Bond Properties of Neutral and Protonated Lobeline

Locati, Abel, Berthelot, Michel, Evain, Michel, Lebreton, Jacques, Le Questel, Jean-Yves, Mathé-Allainmat, Monique, Planchat, Aurélien, Renault, Eric, Graton, Jérôme

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 174 KB

english, 2007

16

Molecular recognition of thiaclopride byAplysia californicaAChBP: new insights from a computational investigation

Alamiddine, Zakaria, Selvam, Balaji, Cerón-Carrasco, José P., Mathé-Allainmat, Monique, Lebreton, Jacques, Thany, Steeve H., Laurent, Adèle D., Graton, Jérôme, Le Questel, Jean-Yves

Journal:

Journal of Computer-Aided Molecular Design

Year:

2015

Language:

english

File:

PDF, 1.73 MB

english, 2015

17

A Joint Theoretical and Experimental Study of the Behavior of the DIDS Inhibitor and its Derivatives

Jaunet-Lahary, Titouan, Goupille, Anaïs, Jacquemin, Denis, Fleury, Fabrice, Graton, Jérôme, Laurent, Adèle Dominique

Journal:

Year:

2016

Language:

english

File:

PDF, 1.22 MB

english, 2016

18

Conformations and binding properties of Thiametoxam and Clothianidin neonicotinoid insecticides to nicotinic acetylcholine receptors: the contribution of sigma-hole interactions

Alamiddine, Zakaria, Thany, Steeve H, Graton, Jérôme, LE QUESTEL, Jean-Yves

Journal:

Year:

2018

Language:

english

File:

PDF, 2.07 MB

english, 2018

19

Insights into a highly conserved network of hydrogen bonds in the agonist binding site of nicotinic acetylcholine receptors: A structural and theoretical study

Atkinson, Alexandre, Graton, Jérôme, Le Questel, Jean-Yves

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2014

Language:

english

File:

PDF, 2.49 MB

english, 2014

20

Hydrogen-Bond Accepting Strength of Five-Membered N-Heterocycles:The Case of Substituted Phenylpyrrolines and Myosmines

Virginie Arnaud, Michel Berthelot, François-Xavier Felpin, Jacques Lebreton, Jean-Yves Le Questel, Jérôme Graton

Journal:

European Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 361 KB

english, 2009

21

A DFT-D evaluation of the complexation of a molecular tweezer with small aromatic molecules

Jérôme Graton, Jean-Yves Le Questel, Béatrice Legouin, Philippe Uriac, Pierre van de Weghe, Denis Jacquemin

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 502 KB

english, 2012

22

Can Quantum-Mechanical Calculations Yield Reasonable Estimates of Hydrogen-Bonding Acceptor Strength? The Case of Hydrogen-Bonded Complexes of Methanol

Koné, Mawa, Illien, Bertrand, Laurence, Christian, Graton, Jérôme

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.98 MB

english, 2011

23

Molecular Tweezers in Host–Guest Complexes: A Computational Study through a DFT-D Approach

Graton, Jérôme, Legouin, Béatrice, Besseau, François, Uriac, Philippe, Le Questel, Jean-Yves, van de Weghe, Pierre, Jacquemin, Denis

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 2.14 MB

english, 2012

24

1H NMR and computational study of the conformations in solution of one host/guest complex formed with an usnic acid tweezer and 2,4,7-trinitro-9-fluorenone (TNF)

Hitti, Eric, Legouin, Béatrice, Graton, Jérôme, Jacquemin, Denis, Uriac, Philippe

Journal:

Year:

2016

Language:

english

File:

PDF, 1021 KB

english, 2016

25

Intramolecular OH⋅⋅⋅Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The γ-Fluoropropanol Motif

Linclau, Bruno, Peron, Florent, Bogdan, Elena, Wells, Neil, Wang, Zhong, Compain, Guillaume, Fontenelle, Clement Q., Galland, Nicolas, Le Questel, Jean-Yves, Graton, Jérôme

Journal:

Chemistry - A European Journal

Year:

2015

Language:

english

File:

PDF, 2.47 MB

english, 2015

26

α-Fluoro- o -cresols: The Key Role of Intramolecular Hydrogen Bonding in Conformational Preference and Hydrogen-Bond Acidity

Bogdan, Elena, Quarré de Verneuil, Alexis, Besseau, François, Compain, Guillaume, Linclau, Bruno, Le Questel, Jean-Yves, Graton, Jérôme

Journal:

Year:

2016

Language:

english

File:

PDF, 1.16 MB

english, 2016

27

Spin–orbit coupling as a probe to decipher halogen bonding

Graton, Jérôme, Rahali, Seyfeddine, Le Questel, Jean-Yves, Montavon, Gilles, Pilmé, Julien, Galland, Nicolas

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 2.74 MB

english, 2018

28

Hydrogen-Bond Interactions of Nicotine and Acetylcholine Salts: A Combined Crystallographic, Spectroscopic, Thermodynamic and Theoretical Study

Virginie Arnaud, Michel Berthelot, Michel Evain, Jérôme Graton, Jean-Yves Le Questel

Journal:

Chemistry - A European Journal

Year:

2007

Language:

english

File:

PDF, 240 KB

english, 2007

29

Fluorescent carboxylic and phosphonic acids: comparative photophysics from solution to organic nanoparticles

Faucon, Adrien, Lenk, Romaric, Hémez, Julie, Gautron, Eric, Jacquemin, Denis, Le Questel, Jean-Yves, Graton, Jérôme, Brosseau, Arnaud, Ishow, Eléna

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.03 MB

english, 2013

30

Liaison hydrogène des arylamines : compétition des sites π et N

Marquis, Eric, Graton, Jérôme, Berthelot, Michel, Planchat, Aurélien, Laurence, Christian

Journal:

Canadian Journal of Chemistry

Year:

2004

File:

PDF, 226 KB

2004

31

Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional Molecules

Glavatskikh, Marta, Madzhidov, Timur, Solov'ev, Vitaly, Marcou, Gilles, Horvath, Dragos, Graton, Jérôme, Le Questel, Jean-Yves, Varnek, Alexandre

Journal:

Molecular Informatics

Year:

2016

Language:

english

File:

PDF, 696 KB

english, 2016

32

The Diiodine Basicity Scale: Toward a General Halogen-Bond Basicity Scale

Prof. Dr. Christian Laurence, Dr. Jérôme Graton, Prof. Dr. Michel Berthelot, Dr. Mohamed J. El Ghomari

Journal:

Chemistry - A European Journal

Year:

2011

Language:

english

File:

PDF, 709 KB

english, 2011

33

Structural Features and Hydrogen-Bond Properties of Galanthamine and Codeine: An Experimental and Theoretical Study

Alexandre P. Atkinson, Dr. Evelyne Baguet, Dr. Nicolas Galland, Prof. Dr. Jean-Yves Le Questel, Aurélien Planchat, Dr. Jérôme Graton

Journal:

Chemistry - A European Journal

Year:

2011

Language:

english

File:

PDF, 793 KB

english, 2011

34

Halogen-bond interactions: a crystallographic basicity scale towards iodoorganic compounds

Le Questel, Jean-Yves, Laurence, Christian, Graton, Jérôme

Journal:

Year:

2013

Language:

english

File:

PDF, 1.33 MB

english, 2013

35

Mode of action of sulfoxaflor on α-bungarotoxin-insensitive nAChR1 and nAChR2 subtypes: Inhibitory effect of imidacloprid

Houchat, Jean-Noël, Dissanamossi, Basile Moambi, Landagaray, Elodie, Mathé-Allainmat, Monique, Cartereau, Alison, Graton, Jérôme, Lebreton, Jacques, Le Questel, Jean-Yves, Thany, Steeve H.

Journal:

NeuroToxicology

Year:

2019

File:

PDF, 567 KB

2019

36

Characterization of steroids through Collision Cross Sections: contribution of Quantum Chemistry Calculations

Graton, Jerome, HernÃ¡ndez-Mesa, Maykel, Normand, Samuel, Dervilly, Gaud, Le Questel, Jean-Yves, Le Bizec, Bruno

Journal:

Analytical Chemistry

Year:

2020

Language:

english

File:

PDF, 513 KB

english, 2020

37

An Unexpected and Significantly Lower Hydrogen-Bond-Donating Capacity of Fluorohydrins Compared to Nonfluorinated Alcohols

Dr. Jérôme Graton, Zhong Wang, Anne-Marie Brossard, Daniela Gonçalves Monteiro, Prof. Dr. Jean-Yves Le Questel, Dr. Bruno Linclau

Journal:

Angewandte Chemie

Year:

2012

Language:

english

File:

PDF, 363 KB

english, 2012

38

The Nicotinic Pharmacophore: Thermodynamics of the Hydrogen-Bonding Complexation of Nicotine, Nornicotine, and Models

Graton, Jérôme, Berthelot, Michel, Gal, Jean-François, Laurence, Christian, Lebreton, Jacques, Le Questel, Jean-Yves, Maria, Pierre-Charles, Robins, Richard

Journal:

Journal of Organic Chemistry

Year:

2003

Language:

english

File:

PDF, 388 KB

english, 2003

39

Dissymmetric Molecular Tweezers in Host–Guest Complexes: Internal or External Complexation?

Jaunet-Lahary, Titouan, Jacquemin, Denis, Legouin, Béatrice, Questel, Jean-Yves Le, Cupif, Jean-François, Toupet, Loïc, Uriac, Philippe, Graton, Jérôme

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 2.15 MB

english, 2015

40

Towards a stronger halogen bond involving astatine: unexpected adduct with Bu3PO stabilized by hydrogen bonding

Liu, Lu, Guo, Ning, Champion, Julie, Graton, Jérôme, Montavon, Gilles, Galland, Nicolas, Maurice, Remi

Journal:

Chemistry - A European Journal

Year:

2019

Language:

english

File:

PDF, 1.14 MB

english, 2019

41

Three-centre hydrogen bonding in the complexes of syn-2,4-difluoroadamantane with 4-fluorophenol and hydrogen fluoride

William Adcock, Jérôme Graton, Christian Laurence, Maryvonne Luçon, Neil Trout

Journal:

Journal of Physical Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 158 KB

english, 2005

42

An Overview of Lewis Basicity and Affinity Scales

Laurence, Christian, Graton, Jérôme, Gal, Jean-François

Journal:

Journal of Chemical Education

Year:

2011

Language:

english

File:

PDF, 1.91 MB

english, 2011

43

Molecular features and toxicological properties of four common pesticides, acetamiprid, deltamethrin, chlorpyriphos and fipronil

Taillebois, Emiliane, Alamiddine, Zakaria, Brazier, Christine, Graton, Jérôme, Laurent, Adèle D., Thany, Steeve H., Le Questel, Jean-Yves

Journal:

Bioorganic & Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

44

Mode of action of sulfoxaflor on α-bungarotoxin-insensitive nAChR1 and nAChR2 subtypes: Inhibitory effect of imidacloprid

Houchat, Jean-Noël, Dissanamossi, Basile Moambi, Landagaray, Elodie, Mathé-Allainmat, Monique, Cartereau, Alison, Graton, Jérôme, Lebreton, Jacques, Le Questel, Jean-Yves, Thany, Steeve H.

Journal:

NeuroToxicology

Year:

2019

Language:

english

File:

PDF, 567 KB

english, 2019

45

On the Interplay Between Charge‐Shift Bonding and Halogen Bonding

Sarr, Serigne, Graton, Jérôme, Montavon, Gilles, Pilmé, Julien, Galland, Nicolas

Journal:

Year:

2019

File:

PDF, 1.65 MB

2019

46

An Unexpected and Significantly Lower Hydrogen-Bond-Donating Capacity of Fluorohydrins Compared to Nonfluorinated Alcohols

Dr. Jérôme Graton, Zhong Wang, Anne-Marie Brossard, Daniela Gonçalves Monteiro, Prof. Dr. Jean-Yves Le Questel, Dr. Bruno Linclau

Journal:

Angewandte Chemie International Edition

Year:

2012

Language:

english

File:

PDF, 370 KB

english, 2012

47

Interference between the Hydrogen Bonds to the Two Rings of Nicotine

Graton, Jérôme, van Mourik, Tanja, Price, Sarah L.

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 235 KB

english, 2003

48

Hydrogen-Bond Accepting Properties of New Heteroaromatic Rings Chemical Motifs: a Theoretical Study

Graton, Jerome, Le Questel, Jean-Yves, Maxwell, Peter, Popelier, Paul L. A.

Journal:

Journal of Chemical Information and Modeling

Year:

2016

Language:

english

File:

PDF, 1.57 MB

english, 2016

49

Radical Cyclisation of α-Halo Aluminium Acetals: A Mechanistic Study

Bénéteau, Romain, Boussonnière, Anne, Rouaud, Jean-Christophe, Lebreton, Jacques, Graton, Jérôme, Jacquemin, Denis, Sebban, Muriel, Oulyadi, Hassan, Hamdoun, Ghanem, Hancock, Amber N., Schiesser, Carl

Journal:

Chemistry - A European Journal

Year:

2016

Language:

english

File:

PDF, 5.41 MB

english, 2016

50

Inside Back Cover: Influence of Alcohol β-Fluorination on Hydrogen-Bond Acidity of Conformationally Flexible Substrates (Chem. Eur. J. 12/2017)

Graton, Jerome, Compain, Guillaume, Besseau, Francois, Bogdan, Elena, Watts, Joseph M., Mtashobya, Lewis, Wang, Zhong, Weymouth-Wilson, Alex, Galland, Nicolas, Le Questel, Jean-Yves, Linclau, Bruno

Journal:

Chemistry - A European Journal

Year:

2017

File:

PDF, 6.61 MB

2017

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