SEMI-EMPIRICAL APPROXIMATIONS FOR COULOMB AND BOND INTEGRALS IN SIMPLE LCAO-MO METHODS .I. ALTERNANT AND NON-ALTERNANT HYDROCARBONS

被引：6

作者：

FERREIRA, R

机构：

来源：

THEORETICA CHIMICA ACTA | 1965年 / 3卷 / 02期

关键词：

D O I：

10.1007/BF00527345

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：147 / &

共 29 条

[1] STRUCTURE OF ETHYLENE
BARTELL, LS
BONHAM, RA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (06) : 1414 - 1415
[2] THE MOLECULAR-ORBITAL PARAMETERS FOR CONJUGATED NITROGEN ATOMS
BROWN, RD
PENFOLD, A
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1957, 53 (04): : 397 - 402
[3] FREE VALENCE IN UNSATURATED HYDROCARBONS
BURKITT, FH
COULSON, CA
LONGUETHIGGINS, HC
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1951, 47 (06): : 553 - 564
[4] CHIRGWIN BH, 1950, P ROY SOC, VA201, P196
[5] Coulson C. A., 1948, J CHIM PHYS, V45, P243, DOI [10.1051/jcp/1948450243, DOI 10.1051/JCP/1948450243]
[6] DEWAR MJ, 1954, P PHYS SOC, VA 67, P795
[7] EYRING H, 1944, QUANTUM CHEMISTRY, P195
[8] GIAMBIAGI MS, 1964, J CHIM PHYS, V61, P697
[9] HAMMOND G, 1963, SCIENCE, V142, P154
[10] EXTENDED HUCKEL THEORY .4. CARBONIUM IONS
HOFFMAN, R
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (09) : 2480 - &