ANALYSIS OF CORRELATING VERSUS POLARIZING ROLE OF BOND FUNCTIONS IN CEPA-PNO COMPUTATIONS OF DIAZENE

被引：14

作者：

BURTON, PG ^{[1
]}

机构：

[1] UNIV WOLLONGONG,DEPT CHEM,WOLLONGONG 2500,NEW S WALES,AUSTRALIA

来源：

MOLECULAR PHYSICS | 1977年 / 34卷 / 01期

关键词：

D O I：

10.1080/00268977700101521

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：51 / 63

页数：13

共 48 条

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[3] AB-INITIO STUDY OF ELECTRONIC-STRUCTURE OF DIIMIDE
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[4] QUANTUM ORGANIC PHOTOCHEMISTRY .4. PHOTOISOMERIZATION OF DIIMIDE AND AZOALKANES
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[5] SINGLET AND TRIPLET-STATES OF AMINONITRENES - AB-INITIO MOLECULAR-ORBITAL STUDY
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[J]. CANADIAN JOURNAL OF CHEMISTRY, 1973, 51 (20) : 3303 - 3308
[6] Buenker R. J., 1976, CHEM PHYS, V9, P75
[7] AB-INITIO STUDY OF MIXING OF VALENCE AND RYDBERG STATES IN O2 - CI POTENTIAL CURVES FOR SIGMA-3(U)-, DELTA-3(U) AND PI-3(U) STATES
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[8] CALCULATIONS ON ELECTRONIC-SPECTRUM OF WATER
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[J]. CHEMICAL PHYSICS LETTERS, 1974, 29 (02) : 253 - 259
[9] THEORETICAL-STUDY OF VERTICAL ELECTRONIC-SPECTRUM OF O2 - MIXING OF VALENCE AND RYDBERG STATES
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PEYERIMHOFF, SD
[J]. CHEMICAL PHYSICS, 1975, 8 (03) : 324 - 337
[10] BOND FUNCTION PARAMETER TRANSFERABILITY IN SO-2, SF-2 AND SO2F2
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CARLSEN, NR
[J]. CHEMICAL PHYSICS LETTERS, 1977, 46 (01) : 48 - 52

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