THEORETICAL-STUDY OF ELECTRONIC-SPECTRUM OF DIIMIDE BY AB-INITIO METHODS

被引：53
作者：
VASUDEVAN, K
PEYERIMHOFF, SD
BUENKER, RJ
KAMMER, WE
HSU, H
机构：
[1] UNIV BONN, LEHRSTUHL THEORET CHEM, 53 BONN, GERMANY
[2] UNIV NEBRASKA, DEPT CHEM, LINCOLN, NE 68508 USA
来源：
CHEMICAL PHYSICS | 1975年 / 7卷 / 02期
关键词：
D O I：
10.1016/0301-0104(75)87002-9
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
收藏
页码：187 / 209
页数：23
相关论文
共 53 条
[1]   THERMAL CIS-TRANS ISOMERIZATION OF DIIMIDE . A THEORETICAL STUDY [J].
ALSTER, J ;
BURNELLE, LA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (05) :1261-&
[2]  
BACK RA, 1974, CAN J CHEM, V52, P946
[3]   QUANTUM ORGANIC PHOTOCHEMISTRY .4. PHOTOISOMERIZATION OF DIIMIDE AND AZOALKANES [J].
BAIRD, NC ;
SWENSON, JR .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1973, 51 (18) :3097-3101
[4]   INFRARED SPECTRUM + STRUCTURE OF DIIMIDE [J].
BLAU, EJ ;
HOCHHEIMER, BF .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (05) :1174-&
[5]   INFRARED SPECTRUM OF DIIMIDE [J].
BLAU, EJ ;
HOCHHEIMER, BF ;
UNGER, HJ .
JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (03) :1060-&
[6]   INFRARED AND RAMAN-SPECTRA OF SOLID AND MATRIX-ISOLATED DIIMIDE, HNNH [J].
BONDYBEY, VE ;
NIBLER, JW .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (05) :2125-2134
[7]   NON-EMPIRICAL SCF AND CI STUDY OF GROUND AND EXCITED-STATES OF THIOFORMALDEHYDE [J].
BRUNA, PJ ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
CHEMICAL PHYSICS, 1974, 3 (01) :35-53
[8]   COMBINED SCF AND CI CALCULATIONS FOR LOW-LYING RYDBERG AND VALENCE EXCITED STATES OF ETHYLENE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD ;
KAMMER, WE .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :814-+
[9]   COMBINED SCF AND CI METHOD FOR CALCULATION OF ELECTRONICALLY EXCITED STATES MOLECULES - POTENTIAL CURVES FOR LOW-LYING STATES OF FORMALDEHYDE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (04) :1368-+
[10]   MOLECULAR GEOMETRY AND MULLIKEN-WALSH MOLECULAR-ORBITAL MODEL - AB-INITIO STUDY [J].
BUENKER, RJ ;
PEYERIMH.SD .
CHEMICAL REVIEWS, 1974, 74 (02) :127-188
123456