AB-INITIO CALCULATIONS FOR ELECTRONIC-STRUCTURE OF CARBAZOLE AND TRINITROFLUORENONE

被引：28

作者：

BATRA, IP ^{[1
]}

BAGUS, PS ^{[1
]}

CLEMENTI, E ^{[1
]}

SEKI, H ^{[1
]}

机构：

[1] IBM CORP,RES LAB,SAN JOSE,CA 95193

来源：

THEORETICA CHIMICA ACTA | 1974年 / 32卷 / 04期

关键词：

D O I：

10.1007/BF00526864

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：279 / 293

页数：15

共 18 条

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[3] CLEMENTI E, 1971, RJ883 IBM TECHN REP
[4] Clementi E., 1966, J COMPUT PHYS, V1, P223
[5] CLEMENTI E, 1971, RJ853 IBM TECHN REP
[6] CLEMENTI E, 1971, RJ889 IBM TECHN REP
[7] CRYSTAL-STRUCTURE OF 2,4,7-TRINITRO-9-FLUORENONE
DORSET, DL
HYBL, A
AMMON, HL
[J]. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1972, B 28 (NOV15): : 3122 - 3127
[8] EMOLAEV VL, 1963, USP FIZ NAUK, V80, P3
[9] MOLECULAR ORBITAL THEORY OF ELECTRON DONOR-ACCEPTOR COMPLEXES .4. SELF-CONSISTENT LINEAR COMBINATION OF MOLECULAR ORBITALS APPROXIMATION
FLURRY, RL
[J]. THEORETICA CHIMICA ACTA, 1971, 23 (01): : 1 - &
[10] LAHIRI RN, 1969, ACTA CRISTALLOGR A, V25, pS127