THE ELECTRONIC-STRUCTURE OF 1,3-DIPOLES - SPIN-COUPLED DESCRIPTIONS OF NITRONE AND DIAZOMETHANE

被引:30
作者
COOPER, DL
GERRATT, J
RAIMONDI, M
WRIGHT, SC
机构
[1] UNIV BRISTOL,DEPT THEORET CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
[2] UNIV MILAN,DIPARTIMENTO CHIM FIS ELETTROCHIM,I-20133 MILAN,ITALY
关键词
D O I
10.1016/0009-2614(87)80387-1
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:296 / 302
页数:7
相关论文
共 15 条
[1]  
CALLOMON JH, 1976, LANDOLTBORNSTEIN NUM, V7, P132
[2]  
Cooper D. L., 1987, ADV CHEM PHYS, V69, P319
[3]   THE ELECTRONIC-STRUCTURE OF THE BENZENE MOLECULE [J].
COOPER, DL ;
GERRATT, J ;
RAIMONDI, M .
NATURE, 1986, 323 (6090) :699-701
[4]  
COOPER DL, UNPUB J AM CHEM SOC
[6]  
DUNNING TH, 1977, METHODS ELECTRONIC S
[7]   VALENCE-BOND STUDIES OF 4-ELECTRON 3-CENTER BONDING UNITS .1. PI-ELECTRONS OF O-3, NO2-, AND CH2N2 [J].
HARCOURT, RD ;
ROSO, W .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1978, 56 (08) :1093-1101
[8]   COMPARISON OF MINIMAL AND EXTENDED BASIS-SETS IN TERMS OF RESONANT FORMULAS - APPLICATION TO 1,3 DIPOLES [J].
HIBERTY, PC ;
OHANESSIAN, G .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (01) :66-70
[9]   EXPANSION OF MOLECULAR-ORBITAL WAVE-FUNCTIONS INTO VALENCE BOND WAVE-FUNCTIONS - SIMPLIFIED PROCEDURE [J].
HIBERTY, PC ;
LEFORESTIER, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1978, 100 (07) :2012-2017
[10]   AN INTRINSIC LOCALIZATION PROCEDURE FOR ACTIVE CAS SCF ORBITALS [J].
MCDOUALL, JJW ;
ROBB, MA .
CHEMICAL PHYSICS LETTERS, 1986, 132 (03) :319-324