검색결과 : 8건
| No. | Article |
|---|---|
| 1 |
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 J, Besseau F, Brossard AM, Charpentier E, Deroche A, Le Questel JY Journal of Physical Chemistry A, 117(49), 13184, 2013 |
| 2 |
New Insights on the Molecular Recognition of Imidacloprid with Aplysia californica AChBP: A Computational Study Ceron-Carrasco JP, Jacquemin D, Graton J, Thany S, Le Questel JY Journal of Physical Chemistry B, 117(15), 3944, 2013 |
| 3 |
A DFT-D evaluation of the complexation of a molecular tweezer with small aromatic molecules Graton J, Le Questel JY, Legouin B, Uriac P, van de Weghe P, Jacquemin D Chemical Physics Letters, 522, 11, 2012 |
| 4 |
Can Quantum-Mechanical Calculations Yield Reasonable Estimates of Hydrogen-Bonding Acceptor Strength? The Case of Hydrogen-Bonded Complexes of Methanol Kone M, Illien B, Laurence C, Graton J Journal of Physical Chemistry A, 115(47), 13975, 2011 |
| 5 |
The exceptional hydrogen-bond properties of neutral and protonated lobeline Locati A, Berthelot M, Evain M, Lebreton J, Le Questel JY, Mathe-Allainmat M, Planchat A, Renault E, Graton J Journal of Physical Chemistry A, 111(28), 6397, 2007 |
| 6 |
B3LYP and MP2 calculations of the enthalpies of hydrogen-bonded complexes of methanol with neutral bases and anions: Comparison with experimental data Kone M, Illien B, Graton J, Laurence C Journal of Physical Chemistry A, 109(51), 11907, 2005 |
| 7 |
Interference between the hydrogen bonds to the two rings of nicotine Graton J, van Mourik T, Price SL Journal of the American Chemical Society, 125(19), 5988, 2003 |
| 8 |
Site of protonation of nicotine and nornicotine in the gas phase: Pyridine or pyrrolidine nitrogen? Graton J, Berthelot M, Gal JF, Girard S, Laurence C, Lebreton J, Le Questel JY, Maria PC, Naus P Journal of the American Chemical Society, 124(35), 10552, 2002 |