GAUSSIAN BASIS SCF CALCULATIONS FOR OH- H2O NH3 AND CH4

被引：87

作者：

RITCHIE, CD

KING, HF

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1967年 / 47卷 / 02期

关键词：

D O I：

10.1063/1.1711932

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

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页码：564 / &

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[1] CADE PE, TO BE PUBLISHED
[2] ON CORRELATION ENERGY IN CH4 MOLECULE
CARLSON, KD
SKANCKE, PN
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (02) : 613 - &
[3] SCF-MO WAVE FUNCTIONS FOR HYDROGEN FLUORIDE MOLECULE
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (01) : 33 - &
[4] CORRELATION ENERGY IN CH4 MOLECULE
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (02) : 487 - &
[5] CORRELATION ENERGY FOR ATOMIC SYSTEMS
CLEMENTI, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (09) : 2248 - &
[6] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES
CLEMENTI, E
[J]. IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) : 2 - &
[7] BARRIER TO INTERNAL ROTATION IN ETHANE
CLEMENTI, E
DAVIS, DR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) : 2593 - +
[8] NON-EMPIRICAL LCAO-MO-SCF-CI CALCULATIONS ON ORGANIC MOLECULES WITH GAUSSIAN TYPE FUNCTIONS .I. INTRODUCTORY REVIEW AND MATHEMATICAL FORMALISM
CSIZMADI.IG
HARRISON, MC
MOSKOWIT.JW
SUTCLIFF.BT
[J]. THEORETICA CHIMICA ACTA, 1966, 6 (03): : 191 - &
[9] LCAO-MO-SCF CALCULATIONS ON LIH USING GAUSSIAN BASIS SET
CSIZMADIA, IG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) : 1849 - +
[10] MOLECULAR BINDING ENERGIES
HOLLISTER, C
SINANOGL.O
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (01) : 13 - &