NON-EMPIRICAL SCF AND CI STUDY OF ELECTRONIC-SPECTRUM OF PYRROLE

被引：33

作者：

BUTSCHER, W

THUNEMANN, KH

机构：

来源：

关键词：

D O I：

10.1016/0009-2614(78)80439-4

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：224 / 229

页数：6

共 28 条

[1] MICROWAVE DETERMINATION OF THE STRUCTURE OF PYRROLE
BAK, B
CHRISTENSEN, D
HANSEN, L
RASTRUPANDERSEN, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1956, 24 (04) : 720 - 725
[2] ELECTRONIC-SPECTRUM OF PYRROLE IN VAPOR AND CRYSTAL
BAVIA, M
BERTINELLI, F
TALIANI, C
ZAULI, C
[J]. MOLECULAR PHYSICS, 1976, 31 (02) : 479 - 489
[3] ENERGY EXTRAPOLATION IN CI CALCULATIONS
BUENKER, RJ
PEYERIMHOFF, SD
[J]. THEORETICA CHIMICA ACTA, 1975, 39 (03): : 217 - 228
[4] BUENKER RJ, UNPUBLISHED
[5] THEORETICAL STUDIES IN CHEMISTRY AND PHYSICS OF HETEROCYCLES .I. PI-ELECTRON SYSTEM AND UV SPECTRUM OF PYRROLE
CHIORBOL.P
RASTELLI, A
MOMICCHI.F
[J]. THEORETICA CHIMICA ACTA, 1966, 5 (01): : 1 - &
[6] STUDY OF ELECTRONIC STRUCTURE OF MOLECULES .3. PYRROLE GROUND-STATE WAVEFUNCTION
CLEMENTI, E
CLEMENTI, H
DAVIS, DR
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (12) : 4725 - &
[7] SELF CONSISTENT FIELD MOLECULAR ORBITAL CALCULATION FOR PYRROLE
DAHL, JP
HANSEN, AE
[J]. THEORETICA CHIMICA ACTA, 1963, 1 (03): : 199 - 205
[8] DELBENE J, 1968, J CHEM PHYS, V48, P4050
[9] DERRICK PJ, 1971, INT J MASS SPECTROM, V6, P197
[10] ELECTRON-IMPACT INVESTIGATION OF ELECTRONIC EXCITATIONS IN FURAN, THIOPHENE, AND PYRROLE
FLICKER, WM
MOSHER, OA
KUPPERMANN, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (04) : 1315 - 1321