CNDO, INDO AND RCNDO-CI CALCULATIONS ON ELECTRONIC SPECTRA OF SATURATED HYDROCARBONS

被引:65
作者
SALAHUB, DR
SANDORFY, C
机构
来源
THEORETICA CHIMICA ACTA | 1971年 / 20卷 / 03期
关键词
D O I
10.1007/BF00528549
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:227 / &
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共 24 条
[1]   Singlet-triplet excitation of saturated hydrocarbons by low-energy electron impact [J].
Brongersma, H. H. ;
Oosterhoff, L. J. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (06) :437-440
[2]   EXCITED ELECTRONIC STATES OF CYCLOPROPANE [J].
BROWN, RD ;
KRISHNA, VG .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (05) :1482-&
[3]  
DELBENE J, 1968, J CHEM PHYS, V48, P4050
[4]   USE OF CNDO METHOD IN SPECTROSCOPY .3. MONOSUBSTITUTED BENZENES AND PYRIDINES [J].
DELBENE, J ;
JAFFE, HH .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (03) :1221-&
[5]  
DELBENE J, 1968, J CHEM PHYS, V48, P1807
[7]   AN EXTENDED HUCKEL THEORY .I. HYDROCARBONS [J].
HOFFMANN, R .
JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (06) :1397-&
[8]   SEMI-EMPIRICAL SCF TREATMENT OF SIGMA-PI SYSTEM .I. PEPTIDE MOLECULE [J].
IMAMURA, A ;
KODAMA, M ;
TAGASHIRA, Y ;
NAGATA, C .
JOURNAL OF THEORETICAL BIOLOGY, 1966, 10 (02) :356-+
[9]   PARISER AND PARR TYPE CALCULATIONS ON SATURATED HYDROCARBONS I [J].
KATAGIRI, S ;
SANDORFY, C .
THEORETICA CHIMICA ACTA, 1966, 4 (03) :203-+
[10]   EXTENDED HUCKEL CALCULATIONS INCLUDING OUTER ORBITALS - ETHYLENE METHYL CHLORIDE AND RELATED COMPOUNDS [J].
KATO, H ;
KONISHI, H ;
YONEZAWA, T .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1966, 39 (12) :2774-+