A CALCULATION OF H2O2 MOLECULE BY LCAO-MO-SCF METHOD

被引：20

作者：

AMAKO, Y

GIGUERE, PA

机构：

来源：

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1962年 / 40卷 / 04期

关键词：

D O I：

10.1139/v62-113

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：765 / &

共 50 条

[21] SCF LCAO MO STUDIES ON HYDRATION OF IONS - SYSTEM F-H-2(2)O
KRAEMER, WP
DIERCKSE.GH
THEORETICA CHIMICA ACTA, 1972, 27 (03): : 265 - &
[22] AB-INITIO LCAO-MO-SCF STUDY OF PHOSPHORYL FLUORIDE MOLECULE, OPF3
ABSAR, I
VANWAZER, JR
JOURNAL OF PHYSICAL CHEMISTRY, 1971, 75 (10): : 1360 - &
[23] HELIUM-ATOM-HYDROGEN-MOLECULE POTENTIAL SURFACE EMPLOYING LCAO-MO-SCF AND CI METHODS
GORDON, MD
SECREST, D
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (01): : 120 - &
[24] SCF-LCAO-MO STUDY OF H2+ AND H2
DECARLO, V
GRIFFING, V
JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (05): : 845 - &
[25] LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTIONS .5. BH2-
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GELLER, M
KAUFMAN, JJ
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (02): : 974 - &
[26] OVERLAP IN SEMIEMPIRICAL LCAO-MO-SCF METHODS FOR ALL VALENCE ELECTRONS
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MONATSHEFTE FUR CHEMIE, 1969, 100 (03): : 1015 - +
[27] NON-EMPIRICAL LCAO-MO-SCF CALCULATIONS OF ELECTRONIC-STRUCTURE OF SIF2
THOMSON, C
THEORETICA CHIMICA ACTA, 1973, 32 (02): : 93 - 100
[28] INTRA-MOLECULAR REARRANGEMENTS IN TRIFLUOROPHOSPHORANE - ABINITIO LCAO-MO-SCF STUDY
STRICH, A
INORGANIC CHEMISTRY, 1978, 17 (04) : 942 - 947
[29] LCAO-MO-SCF CALCULATIONS USING GAUSSIAN BASIS FUNCTION .3. DETERMINATION OF GEOMETRY BY SCF CALCULATIONS, CF2
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GELLER, M
KAUFMAN, JJ
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (07): : 2771 - &
[30] LCAO-MO-SCF STUDIES OF HF2- AND RELATED UNSTABLE SYSTEMS HF0/2 AND HF2
NOBLE, PN
KORTZEBORN, RN
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (10): : 5375 - +