ABINITIO STUDIES OF THE STRUCTURE AND ENERGETICS OF THE H-(H2) COMPLEX

被引：23

作者：

CHALASINSKI, G

KENDALL, RA

SIMONS, J

机构：

[1] UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112

[2] UNIV WARSAW,DEPT CHEM,PL-02093 WARSAW,POLAND

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1987年 / 91卷 / 24期

关键词：

D O I：

10.1021/j100308a019

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：6151 / 6158

页数：8

共 45 条

[1]

ADAMS NPG, UNPUB

[2] USE OF MOLECULAR QUANTUM-MECHANICAL APPROXIMATIONS EXEMPLIFIED IN THE ENERGY CALCULATION OF THE H3-SYSTEM [J].

BARKER, RS ;

EYRING, H ;

BAKER, DA ;

THORNE, CJ .

JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (08) :1381-1389

[3] MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES [J].

BINKLEY, JS ;

POPLE, JA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) :229-236

[4]

BINKLEY JS, 1983, QCPE, V13

[5]

BINKLEY JS, 1986, GAUSSIAN 82

[6]

BOWEN HC, 1964, T FARADAY SOC, V39, P1186

[7] CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].

BOYS, SF ;

BERNARDI, F .

MOLECULAR PHYSICS, 1970, 19 (04) :553-&

[8]

Buckingham AD, 1978, INTERMOLECULAR INTER

[9] ABINITIO STUDIES OF THE STRUCTURES AND ENERGIES OF THE H-(H2O) AND H-(H2O)2 COMPLEXES [J].

CHALASINSKI, G ;

KENDALL, RA ;

SIMONS, J .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (05) :2965-2975

[10]

CHALASINSKI G, IN PRESS

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