ORBITAL CORRELATION DIAGRAMS BASED ON MULTICONFIGURATIONAL VARIATION OF MOMENTS .2. APPLICATION

被引：4

作者：

MULLERREMMERS, PL

JUG, K

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1985年 / 28卷 / 06期

关键词：

D O I：

10.1002/qua.560280605

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：703 / 713

页数：11

共 16 条

[1] EXTENDED HARTREE-FOCK CALCULATIONS FOR GROUND STATE AND HARTREE-FOCK CALCULATIONS FOR FIRST EXCITED STATE OF H2 [J].

BOWMAN, JD ;

HIRSCHFE.JO ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (07) :2743-&

[2] CONROTATORY AND DISROTATORY STATIONARY-POINTS FOR THE ELECTROCYCLIC ISOMERIZATION OF CYCLOBUTENE TO CIS-BUTADIENE [J].

BREULET, J ;

SCHAEFER, HF .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (05) :1221-1226

[3] EXTENDED HARTREE-FOCK WAVEFUNCTIONS - GENERAL THEORY OF OPTIMIZED-VALENCE CONFIGURATIONS AND ITS APPLICATION TO DIATOMIC MOLECULES [J].

DAS, G ;

WAHL, AC .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (08) :2934-&

[4]

DEWAR MJS, 1971, FORTSCHR CHEM FORSCH, V23, P15

[5] THERMAL ISOMERIZATION OF CYCLOBUTENES .10. 3,3-DIMETHYLCYCLOBUTENE AND 1,3,3-TRIMETHYLCYCLOBUTENE [J].

FREY, HM ;

POPE, BM ;

SKINNER, RF .

TRANSACTIONS OF THE FARADAY SOCIETY, 1967, 63 (533P) :1166-&

[6] VIRTUAL ORBITALS IN HARTREE-FOCK THEORY .2. [J].

HUZINAGA, S ;

ARNAU, C .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (05) :1948-&

[7] VIRTUAL ORBITALS IN HARTREE-FOCK THEORY [J].

HUZINAGA, S ;

ARNAU, C .

PHYSICAL REVIEW A, 1970, 1 (05) :1285-&

[8]

HUZINAGA S, 1971, CHEM PHYS LETT, V45, P55

[9] SINDO1 .3. APPLICATION TO GROUND-STATES OF MOLECULES CONTAINING FLUORINE, BORON, BERYLLIUM AND LITHIUM ATOMS [J].

JUG, K ;

NANDA, DN .

THEORETICA CHIMICA ACTA, 1980, 57 (02) :131-144

[10] SINDO1 .2. APPLICATION TO GROUND-STATES OF MOLECULES CONTAINING CARBON, NITROGEN AND OXYGEN-ATOMS [J].

JUG, K ;

NANDA, DN .

THEORETICA CHIMICA ACTA, 1980, 57 (02) :107-130

← 1 2 →