NONADDITIVITY OF ABINITIO PAIR POTENTIALS FOR MOLECULAR-DYNAMICS OF MULTIVALENT TRANSITION-METAL IONS IN WATER

被引：168

作者：

CURTISS, LA ^{[1
]}

HALLEY, JW ^{[1
]}

HAUTMAN, J ^{[1
]}

RAHMAN, A ^{[1
]}

机构：

[1] UNIV MINNESOTA, SCH PHYS & ASTRON, MINNEAPOLIS, MN 55455 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1987年 / 86卷 / 04期

关键词：

D O I：

10.1063/1.452130

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：

引用

页码：2319 / 2327

页数：9

共 33 条

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[4] THE ROLE OF INNER-SPHERE CONFIGURATION CHANGES IN ELECTRON-EXCHANGE REACTIONS OF METAL-COMPLEXES
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[6] MONTE-CARLO SIMULATIONS OF WATER CLUSTERS AROUND ZN++ AND A LINEAR ZN++.CO2 COMPLEX
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (01) : 260 - 263
[7] NON-ADDITIVITY IN WATER-ION-WATER INTERACTIONS
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[J]. THEORETICA CHIMICA ACTA, 1980, 55 (04): : 257 - 266
[8] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .16. DOUBLY CHARGED CATIONS INTERACTING WITH WATER
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (11) : 4885 - 4887
[9] CURTISS LA, IN PRESS
[10] THE INTERACTION OF A WATER MOLECULE WITH AN ION AT A DISTANCE
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (11) : 5677 - 5683

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