A THEORETICAL-STUDY OF THE ACETALDEHYDE-DERIVED RADICAL

被引:70
作者
HUYSER, ES [1 ]
FELLER, D [1 ]
BORDEN, WT [1 ]
DAVIDSON, ER [1 ]
机构
[1] UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
关键词
D O I
10.1021/ja00375a002
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:2956 / 2959
页数:4
相关论文
共 26 条
[1]   ABINITIO MO PREDICTIONS FOR THE GEOMETRIES AND ENERGIES OF THE SIGMA-STATES AND PI-STATES OF SOME CONJUGATED FREE-RADICALS [J].
BAIRD, NC ;
TAYLOR, KF .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1980, 58 (07) :733-738
[2]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947
[3]  
CAREY FA, 1977, ADV ORGANIC CHEM, P15
[4]  
Cvetanovic R. J, 1963, ADV PHOTOCHEM, V1, P115
[5]  
Davidson E.R., 1974, WORLD QUANTUM CHEM
[6]  
Dunning Jr T. H., 1977, MODERN THEORETICAL C, V2
[7]  
Dupuis M., 1980, NRCC SOFTWARE CATALO, V1
[8]  
DUPUIS M, UNPUB J CHEM PHYS
[9]  
ELBERT ST, 1980, NRCC SOFTWARE CATALO, V1
[10]   AN APPROXIMATION TO FROZEN NATURAL ORBITALS THROUGH THE USE OF THE HARTREE-FOCK EXCHANGE POTENTIAL [J].
FELLER, D ;
DAVIDSON, ER .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (07) :3977-3979