CALCULATION OF EXCITED STATE AND GROUND STATE PROPERTIES OF CONJUGATED HETEROATOMIC MOLECULES USING A SINGLE SCF-LCAO-CI METHOD INCLUDING ORTHO-POLARIZATION

被引：50

作者：

HAMMOND, HA

机构：

来源：

THEORETICA CHIMICA ACTA | 1970年 / 18卷 / 03期

关键词：

D O I：

10.1007/BF00527338

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：239 / &

共 29 条

[1] PI-ELECTRONIC STRUCTURES OF SOME COMPOUNDS CONTAINING BORON-OXYGEN BONDS .I. COMPOUNDS WHERE BORON IS NOT IN A RING
ARMSTRON.DR
PERKINS, PG
[J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1967, (01): : 123 - &
[2] PI-ELECTRONIC STRUCTURES OF SOME COMPOUNDS CONTAINING BORON-OXYGEN BONDS .2. CYCLIC COMPOUNDS
ARMSTRONG, DR
PERKINS, PG
[J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1967, (05): : 790 - +
[3] ELECTRONIC STRUCTURE OF DIPHENYLBORON CATION AND 9-BORAFLUORENES
ARMSTRONG, DR
PERKINS, PG
[J]. JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1966, (08): : 1026 - +
[4] SELF-CONSISTENT MOLECULAR ORBITAL CALCULATIONS ON ORGANOBORON COMPOUNDS .I. HALOGENOVINYLBORANES
ARMSTRONG, DR
PERKINS, PG
[J]. THEORETICA CHIMICA ACTA, 1966, 4 (04): : 352 - +
[5] THEORETICAL STUDIES ON ELECTRONIC SPECTRA OF SUBSTITUTED AROMATIC MOLECULES .2. SEMIEMPIRICAL SELF-CONSISTENT FIELD CALCULATIONS ON ANILINE
BLOOR, JE
BOLTWOOD, P
DAYKIN, PN
[J]. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1964, 42 (01): : 121 - &
[6] STUDY OF FORMALDEHYDE BY A SELF-CONSISTENT ELECTRONEGATIVITY MOLECULAR-ORBITAL METHOD
BROWN, RD
HEFFERNAN, ML
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1958, 54 (06): : 757 - 764
[7] A SEMI-EMPIRICAL LCAO-SCF MOLECULAR ORBITAL TREATMENT OF SOME SUBSTITUTED BENZENES
CLARK, DT
EMSLEY, JW
[J]. MOLECULAR PHYSICS, 1967, 12 (04) : 365 - &
[8] COULSON CA, 1961, VALENCE, P39
[9] GROUND STATES OF CONJUGATED MOLECULES .12. IMPROVED CALCULATIONS FOR COMPOUNDS CONTAINING NITROGEN OR OXYGEN
DEWAR, MJS
MORITA, T
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (04) : 796 - &
[10] DEWAR MJS, 1969, MOLECULAR ORBITAL TH

← 1 2 3 →