| The pKBHX Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists C Laurence, KA Brameld, J Graton, JY Le Questel, E Renault Journal of medicinal chemistry 52 (14), 4073-4086, 2009 | 343 | 2009 |
| The diiodine basicity scale: toward a general halogen‐bond basicity scale C Laurence, J Graton, M Berthelot, MJ El Ghomari Chemistry–A European Journal 17 (37), 10431-10444, 2011 | 163 | 2011 |
| An unexpected and significantly lower hydrogen-bond-donating capacity of fluorohydrins compared to nonfluorinated alcohols J Graton, Z Wang, AM Brossard, DG Monteiro, JY Le Questel, B Linclau Angewandte Chemie (International ed. in English) 51 (25), 6176, 2012 | 101 | 2012 |
| B3LYP and MP2 calculations of the enthalpies of hydrogen-bonded complexes of methanol with neutral bases and anions: Comparison with experimental data M Koné, B Illien, J Graton, C Laurence The Journal of Physical Chemistry A 109 (51), 11907-11913, 2005 | 91 | 2005 |
| Systematic investigation of lipophilicity modulation by aliphatic fluorination motifs B Jeffries, Z Wang, HR Felstead, JY Le Questel, JS Scott, E Chiarparin, ... Journal of Medicinal Chemistry 63 (3), 1002-1031, 2020 | 89 | 2020 |
| An enthalpic scale of hydrogen-bond basicity. 4. Carbon π bases, oxygen bases, and miscellaneous second-row, third-row, and fourth-row bases and a survey of the 4-fluorophenol … C Laurence, J Graton, M Berthelot, F Besseau, JY Le Questel, M Luçon, ... The Journal of Organic Chemistry 75 (12), 4105-4123, 2010 | 88 | 2010 |
| Site of protonation of nicotine and nornicotine in the gas phase: pyridine or pyrrolidine nitrogen? J Graton, M Berthelot, JF Gal, S Girard, C Laurence, J Lebreton, ... Journal of the American Chemical Society 124 (35), 10552-10562, 2002 | 88 | 2002 |
| Reducing the Lipophilicity of Perfluoroalkyl Groups by CF2–F/CF2–Me or CF3/CH3 Exchange B Jeffries, Z Wang, J Graton, SD Holland, T Brind, RDR Greenwood, ... Journal of medicinal chemistry 61 (23), 10602-10618, 2018 | 85 | 2018 |
| Hydrogen-bond basicity p K HB scale of secondary amines J Graton, M Berthelot, C Laurence Journal of the Chemical Society, Perkin Transactions 2, 2130-2135, 2001 | 85 | 2001 |
| An overview of Lewis basicity and affinity scales C Laurence, J Graton, JF Gal Journal of Chemical Education 88 (12), 1651-1657, 2011 | 79 | 2011 |
| Experimental and computational evidence of halogen bonds involving astatine N Guo, R Maurice, D Teze, J Graton, J Champion, G Montavon, N Galland Nature Chemistry 10 (4), 428-434, 2018 | 72 | 2018 |
| Halogen-bond interactions: a crystallographic basicity scale towards iodoorganic compounds JY Le Questel, C Laurence, J Graton CrystEngComm 15 (16), 3212-3221, 2013 | 62 | 2013 |
| Hydrogen-bond basicity p K HB scale of aliphatic primary amines J Graton, C Laurence, M Berthelot, JY Le Questel, F Besseau, ... Journal of the Chemical Society, Perkin Transactions 2, 997-1002, 1999 | 56 | 1999 |
| Activation of Michael acceptors by halogen-bond donors D von der Heiden, E Detmar, R Kuchta, M Breugst Synlett 29 (10), 1307-1313, 2018 | 55 | 2018 |
| New insights on the molecular features and electrophysiological properties of dinotefuran, imidacloprid and acetamiprid neonicotinoid insecticides JY Le Questel, J Graton, JP Cerón-Carrasco, D Jacquemin, A Planchat, ... Bioorganic & medicinal chemistry 19 (24), 7623-7634, 2011 | 49 | 2011 |
| Intramolecular OH⋅⋅⋅ Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The γ‐Fluoropropanol Motif B Linclau, F Peron, E Bogdan, N Wells, Z Wang, G Compain, ... Chemistry–A European Journal 21 (49), 17808-17816, 2015 | 48 | 2015 |
| Hydrogen-bond acidity of OH groups in various molecular environments (phenols, alcohols, steroid derivatives, and amino acids structures): Experimental measurements and density … J Graton, F Besseau, AM Brossard, E Charpentier, A Deroche, ... The Journal of Physical Chemistry A 117 (49), 13184-13193, 2013 | 47 | 2013 |
| The nicotinic pharmacophore: thermodynamics of the hydrogen-bonding complexation of nicotine, nornicotine, and models J Graton, M Berthelot, JF Gal, C Laurence, J Lebreton, JY Le Questel, ... The Journal of organic chemistry 68 (21), 8208-8221, 2003 | 47 | 2003 |
| Amino and cyano N atoms in competitive situations: which is the best hydrogen-bond acceptor? A crystallographic database investigation N Ziao, J Graton, C Laurence, JY Le Questel Acta Crystallographica Section B: Structural Science 57 (6), 850-858, 2001 | 47 | 2001 |
| An enthalpic scale of hydrogen-bond basicity. 3. Ammonia, primary, secondary, and tertiary amines J Graton, M Berthelot, F Besseau, C Laurence The Journal of Organic Chemistry 70 (20), 7892-7901, 2005 | 46 | 2005 |
