CALCULATION OF VERTICAL IONIZATION-POTENTIALS OF HYDROGEN-PEROXIDE BY PERTURBATION CORRECTIONS TO KOOPMANS THEOREM

被引:9
作者
MINATO, T [1 ]
CHONG, DP [1 ]
机构
[1] UNIV BRITISH COLUMBIA,DEPT CHEM,VANCOUVER V6T 1Y6,BC,CANADA
来源
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1983年 / 61卷 / 03期
关键词
D O I
10.1139/v83-096
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:550 / 552
页数:3
相关论文
共 14 条
[1]  
BATICH C, 1974, TETRAHEDRON LETT, P1467
[2]   PHOTOELECTRON INVESTIGATION OF PEROXIDE BOND [J].
BROWN, RS .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1975, 53 (22) :3439-3447
[3]   PERTURBATION CORRECTIONS TO KOOPMANS THEOREM .1. DOUBLE-ZETA SLATER-TYPE-ORBITAL BASIS [J].
CHONG, DP ;
HERRING, FG ;
MCWILLIAMS, D .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (01) :78-84
[4]   PERTURBATION CORRECTIONS TO KOOPMANS THEOREM .2. STUDY OF BASIS SET VARIATION [J].
CHONG, DP ;
HERRING, FG ;
MCWILLIAMS, D .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (03) :958-962
[5]   LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].
EDMISTON, C ;
RUEDENBERG, K .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&
[6]   ORIGIN OF ROTATIONAL BARRIERS .I. MANY-ELECTRON MOLECULAR ORBITAL WAVEFUNCTIONS FOR ETHANE METHYL ALCOHOL AND HYDROGEN PEROXIDE [J].
FINK, WH ;
ALLEN, LC .
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (06) :2261-&
[7]  
HEHRE WJ, 1980, NAT RESOURCE COMPUT, V1
[8]   INTERNAL-ROTATION IN HYDROGEN PEROXIDE - FAR-INFRARED SPECTRUM AND DETERMINATION OF HINDERING POTENTIAL [J].
HUNT, RH ;
LEACOCK, RA ;
PETERS, CW ;
HECHT, KT .
JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (06) :1931-&
[9]   LCAO-SCF COMPUTATIONS FOR HYDROGEN PEROXIDE [J].
KALDOR, U ;
SHAVITT, I .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (05) :1823-&
[10]   CONFORMATIONAL-ANALYSIS BY PHOTOELECTRON-SPECTROSCOPY [J].
KLESSINGER, M ;
RADEMACHER, P .
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1979, 18 (11) :826-837