ABINITIO COMPUTATION OF THE ENTHALPIES OF SOME GAS-PHASE HYDRATION REACTIONS

被引：179

作者：

DELBENE, JE ^{[1
]}

METTEE, HD ^{[1
]}

FRISCH, MJ ^{[1
]}

LUKE, BT ^{[1
]}

POPLE, JA ^{[1
]}

机构：

[1] CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1983年 / 87卷 / 17期

关键词：

D O I：

10.1021/j100240a020

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：3279 / 3282

页数：4

共 19 条

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[6] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .20. BASIS SET FOR CORRELATED WAVE-FUNCTIONS [J].

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[7] APPROXIMATE 4TH-ORDER PERTURBATION-THEORY OF ELECTRON CORRELATION ENERGY [J].

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[8]

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[9]

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[10]

LUKE BT, UNPUB

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