Ab initio molecular dynamics of rigid water: Molecular geometry, ion hydration, and thermodynamics.

被引：0

作者：

Leung, K ^{[1
]}

Rempe, SB ^{[1
]}

机构：

[1] Sandia Natl Labs, Albuquerque, NM 87185 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2005年 / 229卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

141-PHYS

引用

页码：U723 / U724

页数：2

共 50 条

[41] Ab initio quantum molecular dynamics
Ben-Nun, M
Martínez, TJ
ADVANCES IN CHEMICAL PHYSICS, VOLUME 121, 2002, 121 : 439 - 512
[42] Ab initio molecular dynamics of retinals
Bifone, A
deGroot, HJM
Buda, F
CHEMICAL PHYSICS LETTERS, 1996, 248 (3-4) : 165 - 172
[43] Ab initio molecular dynamics of rhodopsin
Bifone, A
deGroot, HJM
Buda, F
PURE AND APPLIED CHEMISTRY, 1997, 69 (10) : 2105 - 2110
[44] Ab initio molecular dynamics simulations
Tuckerman, ME
Ungar, PJ
vonRosenvinge, T
Klein, ML
JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (31): : 12878 - 12887
[45] Ab Initio Molecular Dynamics of Proteins
Zhang John
华南师范大学学报(自然科学版), 2014, 46 (06) : 134 - 134
[46] Interactive ab initio molecular dynamics
Luehr, Nathan
Jin, Alex
Martinez, Todd J.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
[47] Molecular thermodynamics. A statistical approach
Scott, Robert L.
Whalen, James W.
Journal of the American Chemical Society, 1992, 114 (09)
[48] Single ion solvation free energies with ab initio molecular dynamics
Duignan, Timothy
Baer, Marcel
Schenter, Gregory
Mundy, Christopher
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
[49] Ab initio molecular dynamics study of the aqueous formate ion.
Leung, K
Rempe, SB
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 226 : U462 - U462
[50] Ab initio molecular dynamics study of ion-surface interactions
Rosén, J
Schneider, JM
Larsson, K
SOLID STATE COMMUNICATIONS, 2005, 134 (05) : 333 - 336