A THEORETICAL POTENTIAL-ENERGY SURFACE STUDY OF SEVERAL STATES OF THE METHOXY RADICAL

被引：50
作者：
JACKELS, CF
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1982年 / 76卷 / 01期
关键词：
D O I：
10.1063/1.442752
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：505 / 515
页数：11
相关论文
共 53 条
[1]   CALCULATION OF DISSOCIATION-ENERGIES USING MANY-BODY PERTURBATION-THEORY [J].
ADAMS, GF ;
BENT, GD ;
PURVIS, GD ;
BARTLETT, RJ .
CHEMICAL PHYSICS LETTERS, 1981, 81 (03) :461-466
[2]   NATURE OF CONFIGURATION-INTERACTION METHOD IN AB-INITIO CALCULATIONS .1. NE GROUND STATE [J].
BARR, TL ;
DAVIDSON, ER .
PHYSICAL REVIEW A, 1970, 1 (03) :644-&
[3]  
BENT GD, UNPUB J CHEM PHYS
[4]   ELECTRONIC WAVE FUNCTIONS .8. A CALCULATION OF THE GROUND STATES NA+, NE AND F- [J].
BERNAL, MJM ;
BOYS, SF .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1952, 245 (893) :139-154
[5]  
BOBROWICZ FW, 1977, MODERN THEORETICAL C, V3, P79
[6]   THE GROUND-STATE OF THE CN+ ION - A MULTI-REFERENCE CI STUDY [J].
BRUNA, PJ ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
CHEMICAL PHYSICS LETTERS, 1980, 72 (02) :278-284
[7]   ENERGY EXTRAPOLATION IN CI CALCULATIONS [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
THEORETICA CHIMICA ACTA, 1975, 39 (03) :217-228
[8]   SPECTRUM OF HYDROXYL RADICAL [J].
CARLONE, C ;
DALBY, FW .
CANADIAN JOURNAL OF PHYSICS, 1969, 47 (18) :1945-&
[9]   AB-INITIO STUDY OF X2-PI AND A2-SIGMA+ STATES OF OH .1. POTENTIAL CURVES AND PROPERTIES [J].
CHU, SI ;
YOSHIMINE, M ;
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) :5389-5395
[10]  
Davidson E.R., 1974, WORLD QUANTUM CHEM
123456