화학공학소재연구정보센터
검색결과 : 3건
No. Article
1 Computer-Aided Design of Orally Bioavailable Pyrrolidine Carboxamide Inhibitors of Enoyl-Acyl Carrier Protein Reductase of Mycobacterium tuberculosis with Favorable Pharmacokinetic Profiles
Kouassi AF, Kone M, Keita M, Esmel A, Megnassan E, N'Guessan YT, Frecer V, Miertus S
International Journal of Molecular Sciences, 16(12), 29744, 2015
2 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
3 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