THEORY OF LONE PAIRS - RELATIONSHIP BETWEEN ORBITAL ENERGY CONTRIBUTIONS AND 2ND MOMENTS OF LOCALIZED ORBITALS IN 10 ELECTRON HYDRIDES

被引：11

作者：

DAUDEL, R

KAPUY, E

KOZMUTZA, C

GODDARD, JD

CSIZMADIA, IG

机构：

[1] CNRS,CTR MECANIQUE ONDULATOIRE APPL,F-75005 PARIS,FRANCE

[2] TECH UNIV BUDAPEST,INST PHYS,QUANTUM THEORY GRP,H-1521 BUDAPEST,HUNGARY

[3] UNIV TORONTO,DEPT CHEM,TORONTO,ONTARIO,CANADA

来源：

CHEMICAL PHYSICS LETTERS | 1976年 / 44卷 / 02期

关键词：

D O I：

10.1016/0009-2614(76)80490-3

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：197 / 203

页数：7

共 16 条

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[2]

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CSIZMADIA IG, 1975, LOCALIZATION DELOCAL, V1

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CSIZMADIA, IG .

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[5] THEORY OF LONE PAIRS - SUCCESSIVE PROTONATIONS OF MULTI-LONE PAIR BASES [J].

DAUDEL, R ;

KOZMUTZA, C ;

KAPUY, E .

CHEMICAL PHYSICS LETTERS, 1975, 36 (05) :555-557

[6] LIMITS ON LOCALIZED INTERPRETATION OF MOLECULAR-ORBITAL WAVEFUNCTIONS [J].

DAUDEL, R ;

STEPHENS, ME ;

KAPUY, E ;

KOZMUTZA, C .

CHEMICAL PHYSICS LETTERS, 1976, 40 (02) :194-198

[7]

DAUDEL R, TO BE PUBLISHED

[8] LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].

EDMISTON, C ;

RUEDENBERG, K .

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[9] SIMPLE PROCEDURE FOR ESTIMATING HARTREE-FOCK-LIMIT ENERGIES OF MOLECULES [J].

ERMLER, WC ;

KERN, CW .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (09) :3860-3862

[10]

HUZINAGA S, 1969, J CHEM PHYS, V50, P1374

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