DEVELOPMENT OF NONADDITIVE INTERMOLECULAR POTENTIALS USING MOLECULAR-DYNAMICS - SOLVATION OF LI+ AND F- IONS IN POLARIZABLE WATER

被引：0

作者：

DANG, LX ^{[1
]}

机构：

[1] PACIFIC NW LAB, MOLEC SCI RES CTR, RICHLAND, WA 99352 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1992年 / 203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：

引用

页码：157 / PHYS

共 40 条

[11] Implementation of nonadditive intermolecular potentials by use of molecular dynamics. Development of a water-water potential and water-ion cluster interactions
1600, (112):
[12] A molecular-dynamics simulation study of water on NaCl(100) using a polarizable water model
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Hentschke, R
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[13] MOLECULAR-DYNAMICS APPLIED TO THE STUDY OF THE HYDRATION SHELLS OF THE HYDRATED ELECTRON AND THE CL- AND LI+ IONS
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[14] AB-INITIO MOLECULAR-DYNAMICS SIMULATION OF THE SOLVATION AND TRANSPORT OF HYDRONIUM AND HYDROXYL IONS IN WATER
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JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (01): : 150 - 161
[15] LI+ (H2O)2 AB-INITIO MOLECULAR-DYNAMICS BENCHMARK OF EMPIRICAL POTENTIALS
SCHENTER, GK
KENDALL, RA
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 145 - PHYS
[16] Solvation properties of Li+ and Cl- in water:: molecular dynamics simulation with a non-rigid model
Duan, ZH
Zhang, ZG
MOLECULAR PHYSICS, 2003, 101 (10) : 1501 - 1510
[17] STRUCTURE AND PROPERTIES OF NEAT LIQUIDS USING NONADDITIVE MOLECULAR-DYNAMICS - WATER, METHANOL, AND N-METHYLACETAMIDE
CALDWELL, JW
KOLLMAN, PA
JOURNAL OF PHYSICAL CHEMISTRY, 1995, 99 (16): : 6208 - 6219
[18] A MOLECULAR-DYNAMICS STUDY OF THE STRUCTURE OF WATER AROUND THE IONS LI+, NA+, K+, CA++, NI++ AND CL-
BOUNDS, DG
MOLECULAR PHYSICS, 1985, 54 (06) : 1335 - 1355
[19] Examining the solvation structure of ions using MP2 QM/polarizable MM molecular dynamics simulations
Riahi, Saleh
Roux, Benoit
Rowley, Christopher N.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
[20] NONADDITIVITY OF ABINITIO PAIR POTENTIALS FOR MOLECULAR-DYNAMICS OF MULTIVALENT TRANSITION-METAL IONS IN WATER
CURTISS, LA
HALLEY, JW
HAUTMAN, J
RAHMAN, A
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (04): : 2319 - 2327

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