Comment on "Theoretical study of indole: protonation, indolyl radical, tautomers of indole, and its interaction with water" (vol 301, pg 61, 2004)

被引:34
作者
van Mourik, T [1 ]
机构
[1] UCL, Dept Chem, London WC1H 0AJ, England
关键词
D O I
10.1016/j.chemphys.2004.07.004
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
[No abstract available]
引用
收藏
页码:317 / 319
页数:3
相关论文
共 13 条
[1]   Van der Waals versus hydrogen-bonding in complexes of indole with argon, water, and benzene by mass-analyzed pulsed field threshold ionization [J].
Braun, JE ;
Grebner, TL ;
Neusser, HJ .
JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (19) :3273-3278
[2]  
Gonzalez L, 1997, J COMPUT CHEM, V18, P1124, DOI 10.1002/(SICI)1096-987X(19970715)18:9<1124::AID-JCC2>3.0.CO
[3]  
2-T
[4]   Interference between the hydrogen bonds to the two rings of nicotine [J].
Graton, J ;
van Mourik, T ;
Price, SL .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2003, 125 (19) :5988-5997
[5]   Structure, energetics, and dynamics of the nucleic acid base pairs:: Nonempirical ab initio calculations [J].
Hobza, P ;
Sponer, J .
CHEMICAL REVIEWS, 1999, 99 (11) :3247-3276
[6]   DENSITY-FUNCTIONAL THEORY AND MOLECULAR CLUSTERS [J].
HOBZA, P ;
SPONER, J ;
RESCHEL, T .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1995, 16 (11) :1315-1325
[7]   vanderWaals energies in density functional theory [J].
Kohn, W ;
Meir, Y ;
Makarov, DE .
PHYSICAL REVIEW LETTERS, 1998, 80 (19) :4153-4156
[8]   Site dependence of the binding energy of water to indole:: Microscopic approach to the side chain hydration of tryptophan [J].
Mons, M ;
Dimicoli, I ;
Tardivel, B ;
Piuzzi, F ;
Brenner, V ;
Millié, P .
JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (48) :9958-9965
[9]   Theoretical study of indole: Protonation, indolyl radical, tautomers of indole, and its interaction with water [J].
Somers, KRF ;
Kryachko, ES ;
Ceulemans, A .
CHEMICAL PHYSICS, 2004, 301 (01) :61-79
[10]   Predicting the binding energies of H-bonded complexes: A comparative DFT study [J].
Tuma, C ;
Boese, AD ;
Handy, NC .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1999, 1 (17) :3939-3947