OCCUPATION NUMBER DEPENDENCE OF MOLECULAR ENERGY-LEVELS

被引：8

作者：

DEGIAMBIAG, MS

GIAMBIAGI, M

FERREIRA, R

机构：

[1] CTR BRASILEIRO PESQUISAS FIS, RIO DE JANEIRO 20000, RJ, BRAZIL

[2] UNIV FED PERNAMBUCO, DEPT FIS, RECIFE 50000, PE, BRAZIL

来源：

CHEMICAL PHYSICS LETTERS | 1977年 / 52卷 / 01期

关键词：

D O I：

10.1016/0009-2614(77)85125-7

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：80 / 85

页数：6

共 27 条

[1] ABOUT DIRECT OBTAINMENT OF PI-SC BOND ORDERS [J].

BOLLINI, CG ;

GIAMBIAGI, JJ ;

GIAMBIAGI, M ;

SEGREDEGIAMBIAG, M .

THEORETICA CHIMICA ACTA, 1976, 43 (01) :89-93

[2]

BRANDI HS, COMMUNICATION

[3] RESONANCE ENERGIES AND CHARGE DISTRIBUTIONS OF UNSATURATED HYDROCARBON RADICALS AND IONS [J].

BRICKSTOCK, A ;

POPLE, JA .

TRANSACTIONS OF THE FARADAY SOCIETY, 1954, 50 (09) :901-911

[4] INFLUENCE OF SPIN CONTAMINATION AND BASIS SET ON ELECTROSTATIC POTENTIAL AND HFS COUPLING-CONSTANTS OF ORGANIC RADICALS [J].

CREMASCHI, P ;

GAMBA, A ;

MOROSI, G ;

SIMONETTA, M .

THEORETICA CHIMICA ACTA, 1976, 41 (02) :177-182

[5] SELECTION OF MOLECULAR MATRIX ELEMENTS FROM ATOMIC DATA [J].

CUSACHS, LC ;

REYNOLDS, JW .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S160-+

[6] MNDO STUDY OF OZONE AND ITS DECOMPOSITION INTO (O2+O) [J].

DEWAR, MJS ;

OLIVELLA, S ;

RZEPA, HS .

CHEMICAL PHYSICS LETTERS, 1977, 47 (01) :80-84

[7] GROUND STATES OF CONJUGATED MOLECULES .9. HYDROCARBON RADICALS AND RADICAL IONS [J].

DEWAR, MJS ;

HASHMALL, JA ;

VENIER, CG .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1968, 90 (08) :1953-&

[8] VERTICAL IONIZATION-POTENTIALS OF RADICALS BY MINDO-3 METHOD [J].

DEWAR, MJS ;

KOLLMAR, HW ;

SUCK, SH .

THEORETICA CHIMICA ACTA, 1975, 36 (03) :237-239

[9]

EVANS S, 1973, DISCUSS FARADAY SOC, V54, P227

[10] IS ONE ELECTRON LESS THAN HALF WHAT AN ELECTRON PAIR IS [J].

FERREIRA, R .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) :2456-&

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