화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 Questioning the Affinity of Electrophilic Astatine for Sulfur-containing Compounds: Unexpected Bindings Revealed
Bassal F, Champion J, Pardoue S, Seydou M, Sabatie-Gogova A, Deniaud D, Le Questel JY, Montavon G, Galland N
Inorganic Chemistry, 59(19), 13923, 2020
2 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
3 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
4 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
5 Cytochrome P450-Catalyzed Degradation of Nicotine: Fundamental Parameters Determining Hydroxylation by Cytochrome P450 2A6 at the 5'-Carbon or the N-Methyl Carbon
Kwiecien RA, Le Questel JY, Lebreton J, Delaforge M, Andre F, Pihan E, Roussel A, Fournial A, Paneth P, Robins RJ
Journal of Physical Chemistry B, 116(27), 7827, 2012
6 Theoretical Study of the Structures and Hydrogen-Bond Properties of New Alternated Heterocyclic Compounds
Tabatchnik A, Blot V, Pipelier M, Dubreuil D, Renault E, Le Questel JY
Journal of Physical Chemistry A, 114(22), 6413, 2010
7 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
8 Hydrogen-bond accepting strength of protonated nicotine
Arnaud V, Berthelot M, Le Questel JY
Journal of Physical Chemistry A, 109(17), 3767, 2005
9 Selenoxides are better hydrogen-bond acceptors than sulfoxides: a crystallographic database and theoretical investigation
Renault E, Le Questel JY
Journal of Physical Chemistry A, 108(35), 7232, 2004
10 Multiple hydrogen-bond accepting capacities of polybasic molecules: The case of cotinine
Arnaud V, Le Questel JY, Mathe-Allainmat M, Lebreton J, Berthelot M
Journal of Physical Chemistry A, 108(48), 10740, 2004