AB-INITIO VALENCE BOND CALCULATIONS .1. METHYLENE

被引:16
作者
TANTARDINI, GF
RAIMONDI, M
SIMONETT.M
机构
[1] CNR CENTRO, VIA SALDINI 50, I-20133 MILAN, ITALY
[2] IST CHIM FIS, MILAN, ITALY
关键词
D O I
10.1002/qua.560070506
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:893 / 903
页数:11
相关论文
共 32 条
[1]   MULTISTRUCTURE VALENCE-BOND AND ATOMS-IN-MOLECULES CALCULATIONS FOR LIF F2 AND F2- [J].
BALINTKURTI, GG ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) :478-+
[3]   C-13 HYPERFINE INTERACTION IN CD [J].
BERNHEIM, RA ;
BERNARD, HW ;
WANG, PS ;
WOOD, LS ;
SKELL, PS .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (07) :3223-&
[4]   THEORETICAL STUDIES OF LOW-LYING ELECTRONIC STATES OF NH2+ AND CH2 [J].
CHU, SY ;
SIU, AKQ ;
HAYES, EF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (09) :2969-&
[5]   DISSOCIATION ENERGY OF F- AND STABILITY OF ALKALI PERLFUORIDES [J].
COPSEY, DN ;
MURRELL, JN ;
STAMPER, JG .
MOLECULAR PHYSICS, 1971, 21 (02) :193-&
[6]   AB-INITIO STUDY OF ZERO FIELD SPLITTING PARAMETERS OF 3B1 METHYLENE [J].
HARRISON, JF .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (12) :5413-&
[7]   ELECTRONIC STRUCTURE OF METHYLENE [J].
HARRISON, JF ;
ALLEN, LC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (04) :807-&
[8]   ELECTRONIC STRUCTURE OF CARBENES .1. CH2, CHF, AND CF2 [J].
HARRISON, JF .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (17) :4112-&
[9]   GENERALIZED VALENCE BOND WAVEFUNCTIONS FOR LOW LYING STATES OF METHYLENE [J].
HAY, PJ ;
HUNT, WJ ;
GODDARD, WA .
CHEMICAL PHYSICS LETTERS, 1972, 13 (01) :30-&
[10]   SPECTRUM AND STRUCTURE OF SINGLET CH2 [J].
HERZBERG, G ;
JOHNS, JWC .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1966, 295 (1441) :107-&