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 | 346 | 2009 |
Halogen-bond geometry: a crystallographic database investigation of dihalogen complexes C Ouvrard, JY Le Questel, M Berthelot, C Laurence Acta Crystallographica Section B: Structural Science 59 (4), 512-526, 2003 | 173 | 2003 |
Hydrogen‐bond acceptor properties of nitriles: a combined crystallographic and ab initio theoretical investigation JY Le Questel, M Berthelot, C Laurence Journal of Physical Organic Chemistry 13 (6), 347-358, 2000 | 164 | 2000 |
Synthesis of oligothiophene‐bridged bisporphyrins and study of the linkage dependence of the electronic coupling F Odobel, S Suresh, E Blart, Y Nicolas, JP Quintard, P Janvier, ... Chemistry–A European Journal 8 (13), 3027-3046, 2002 | 119 | 2002 |
Hydrogen-bond basicity of secondary and tertiary amides, carbamates, ureas and lactams JY Le Questel, C Laurence, A Lachkar, M Helbert, M Berthelot Journal of the Chemical Society, Perkin Transactions 2, 2091-2094, 1992 | 114 | 1992 |
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 | 101 | 2020 |
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 | 99 | 2012 |
Structure and molecular interactions of anti-thyroid drugs. Part 3. 1 Methimazole: a diiodine sponge C Laurence, MJ El Ghomari, JY Le Questel, M Berthelot, R Mokhlisse Journal of the Chemical Society, Perkin Transactions 2, 1545-1552, 1998 | 95 | 1998 |
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 | 89 | 2018 |
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 | 89 | 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 |
Computer modelling of sulfated carbohydrates: Applications to carrageenans JY Le Questel, S Cros, W Mackie, S Pérez International journal of biological macromolecules 17 (3-4), 161-175, 1995 | 82 | 1995 |
Hydrogen-bond basicity of thioamides and thioureas C Laurence, M Berthelot, JY Le Questel, MJ El Ghomari Journal of the Chemical Society, Perkin Transactions 2, 2075-2079, 1995 | 64 | 1995 |
Halogen-bond interactions: A crystallographic basicity scale towards iodoorganic compounds JY Le Questel, C Laurence, J Graton CrystEngComm 15 (16), 3212-3221, 2013 | 63 | 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 | 57 | 1999 |
Gas-phase basicity and site of protonation of polyfunctional molecules of biological interest: FT-ICR experiments and AM1 calculations on nicotines, nicotinic acid derivatives … M Berthelot, M Decouzon, JF Gal, C Laurence, JY Le Questel, PC Maria, ... The Journal of Organic Chemistry 56 (14), 4490-4494, 1991 | 53 | 1991 |
Hydrogen‐bond basicity of nitriles M Berthelot, M Helbert, C Laurence, JYL Questel Journal of physical organic chemistry 6 (5), 302-306, 1993 | 52 | 1993 |
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 | 50 | 2011 |
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 | 49 | 2013 |
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 |