AB-INITIO CALCULATIONS OF SMALL HYDRIDES INCLUDING ELECTRON CORRELATION .8. EQUILIBRIUM GEOMETRY AND HARMONIC FORCE CONSTANTS OF BH3

被引：30

作者：

GELUS, M

KUTZELNIGG, W

机构：

[1] UNIV KARLSRUHE, INST PHYS CHEM & ELEKTRO CHEM, KARLSRUHE 7500, WEST GERMANY

[2] UNIV SCI & MED GRENOBLE, LAB CHIM GEN, GRENOBLE, FRANCE

来源：

THEORETICA CHIMICA ACTA | 1973年 / 28卷 / 02期

关键词：

D O I：

10.1007/BF00528654

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

收藏

页码：103 / 110

页数：8

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共 14 条

[1] AB INITIO CALCULATIONS ON SMALL HYDRIDES INCLUDING ELECTRON CORRELATION .I. BEH2 MOLECULE IN ITS GROUND STATE
AHLRICHS, R
KUTZELNI.W
[J]. THEORETICA CHIMICA ACTA, 1968, 10 (05): : 377 - &
[2] A Relation Between Internuclear Distances and Bond Force Constants
Badger, Richard M.
[J]. JOURNAL OF CHEMICAL PHYSICS, 1934, 2 (03)
[3] Decius J. C., 1955, MOLECULAR VIBRATIONS
[4] AB-INITIO CALCULATIONS OF SMALL HYDRIDES INCLUDING ELECTRON CORRELATION .4. STUDY OF CORRELATION ENERGY OF BH GROUND STATE AND ITS DEPENDENCE ON INTERNUCLEAR DISTANCE
GELUS, M
AHLRICHS, R
STAEMMLER, V
KUTZELNIGG, W
[J]. THEORETICA CHIMICA ACTA, 1971, 21 (01): : 63 - +
[5] Origin of the dimerization energy of BH3 to B2H6
Gelus, M.
Ahlrichs, R.
Staemmler, V.
Kutzelnigg, W.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 7 (05) : 503 - 505
[6] JOHNSON HD, 1970, FORTSCHR CHEM FORSCH, V15, P87
[7] Ab-initio calculations of small hydrides including electron correlation
Jungen, M.
[J]. CHEMICAL PHYSICS LETTERS, 1970, 5 (04) : 241 - 242
[8] JUNGEN M, 1970, THEOR CHIM ACTA, V17, P348
[9] MEYER W, IN PRESS
[10] Morrey J. R., 1961, ADV CHEM SER, V32, P157