STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .2. ENERGY SURFACES FOR A WATER MOLECULE IN FIELD OF A SODIUM OR POTASSIUM CATION

被引：191

作者：

KISTENMACHER, H ^{[1
]}

POPKIE, H ^{[1
]}

CLEMENTI, E ^{[1
]}

机构：

[1] IBM CORP, RES LAB, SAN JOSE, CA 95114 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 58卷 / 04期

关键词：

D O I：

10.1063/1.1679414

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：1689 / 1699

页数：11

共 9 条

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[2]

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[3] STUDY OF STRUCTURE OF MOLECULAR COMPLEXES .1. ENERGY SURFACE OF A WATER MOLECULE IN FIELD OF A LITHIUM POSITIVE-ION [J].

CLEMENTI, E ;

POPKIE, H .

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[4]

CLEMENTI E, 1965, SUPPL IBM J RES DEVE, V9, P2

[5]

CLEMENTI E, 1972, PHYSICS ELECTRONIC A, V7, P399

[6] SCF-MO LCGO STUDIES ON HYDRATION OF IONS - SYSTEMS H+H2O, LI+H2O, AND NA+H2O [J].

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KRAEMER, WP .

THEORETICA CHIMICA ACTA, 1972, 23 (04) :387-+

[7] HYDRATION OF ALKALI IONS IN GAS PHASE - ENTHALPIES AND ENTROPIES OF REACTIONS M+(H2O)N-1+H2O = M+(H2O)N [J].

DZIDIC, I ;

KEBARLE, P .

JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (07) :1466-&

[8] LCAO MO SCF calculations on the hydroation of simple ions - (LCAO MO studies on molecular structure V) [J].

Lischka, H. ;

Plesser, Th. ;

Schuster, P. .

CHEMICAL PHYSICS LETTERS, 1970, 6 (04) :263-266

[9] MOLECULAR DYNAMICS STUDY OF LIQUID WATER [J].

Rahman, A ;

Stillinger, FH .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (07) :3336-+

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