AN IMPROVEMENT IN CALCULATION OF ELECTRON REPULSION INTEGRALS IN PARISER-PARR-POPLE THEORY-ELECTRON INTERACTIONS IN MOLECULES

被引：25

作者：

NISHIMOTO, K

机构：

来源：

THEORETICA CHIMICA ACTA | 1966年 / 5卷 / 01期

关键词：

D O I：

10.1007/BF00527426

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：

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页码：74 / +

页数：1

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[1] ASTON JG, 1955, DETERMINATION ORG, P525
[2] SELF CONSISTENT FIELD MOLECULAR ORBITAL CALCULATIONS FOR MONO AND DISUBSTITUTED BENZENES
BLOOR, JE
PERADEJORDI, F
[J]. THEORETICA CHIMICA ACTA, 1962, 1 (01): : 83 - 85
[3] BOTTCHER CJF, 1952, THEORY ELECTRIC POLA
[4] BRAUDE EA, 1955, DETERMINATION ORG, P525
[5] RESONANCE ENERGIES AND CHARGE DISTRIBUTIONS OF UNSATURATED HYDROCARBON RADICALS AND IONS
BRICKSTOCK, A
POPLE, JA
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1954, 50 (09): : 901 - 911
[6] GROUND STATES OF CONJUGATED MOLECULES .I. SEMIEMPIRICAL SCF MO TREATMENT AND ITS APPLICATION TO AROMATIC HYDROCARBONS
CHUNG, ALH
DEWAR, MJS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (02) : 756 - &
[7] Clar E., 1964, POLYCYCLIC HYDROCARB, VI
[8] SPO (SPLIT P-ORBITAL) METHOD AND ITS APPLICATION TO ETHYLENE
DEWAR, MJ
HOJVAT, NL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (04) : 1232 - &
[9] SP-O (SPLIT-P-ORBITAL) METHOD .2. FURTHER DEFINITION AND APPLICATION TO ACETYLENE
DEWAR, MJ
HOJVAT, NL
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 264 (1318) : 431 - +
[10] SPLIT P-ORBITAL (SPO) METHOD .3. RELATIONSHIP TO OTHER MO TREATMENTS AND APPLICATION TO BENZENE, BUTADIENE, AND NAPHTHALENE
DEWAR, MJS
SABELLI, NL
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (12) : 2310 - &