SEMI-EMPIRICAL ALL VALENCE ELECTRONS SCF-MO-CNDO THEORY .2. INTERATOMIC PARAMETERS AND BONDING ENERGIES

被引:207
作者
SICHEL, JM
WHITEHEA.MA
机构
来源
THEORETICA CHIMICA ACTA | 1968年 / 11卷 / 03期
关键词
D O I
10.1007/BF00528341
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 ;
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页码:220 / &
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[41]  
MOORE CE, 1958, 467 NAT BUR STANDS C
[42]  
MOORE CE, 1952, 467 NAT BUR STANDS C
[43]   FORMULAS AND NUMERICAL TABLES FOR OVERLAP INTEGRALS [J].
MULLIKEN, RS ;
RIEKE, CA ;
ORLOFF, D ;
ORLOFF, H .
JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (12) :1248-1267
[44]   SOME REMARKS ON THE PARISER-PARR-POPLE METHOD [J].
OHNO, K .
THEORETICA CHIMICA ACTA, 1964, 2 (02) :219-227
[45]  
OHNO K, 1967, ADV QUANTUM CHEM, V3, P240
[47]   A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .1. [J].
PARISER, R ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (03) :466-471
[48]   A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .2. [J].
PARISER, R ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (05) :767-776
[49]   AN IMPROVEMENT IN THE PI-ELECTRON APPROXIMATION IN LCAO MO THEORY [J].
PARISER, R .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (03) :568-569
[50]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES [J].
POPLE, JA ;
SANTRY, DP ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S129-+