THE INCLUSION OF HIGH-ORDER REPLACEMENTS IN CONFIGURATION-INTERACTION CALCULATIONS - APPLICATION TO H3O+ INVERSION BARRIER

被引:27
作者
FERGUSON, WI
HANDY, NC
机构
关键词
D O I
10.1016/0009-2614(80)85297-3
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:95 / 100
页数:6
相关论文
共 24 条
[1]  
AHLRICHS R, 1975, J CHEM PHYS, V62, P1235, DOI 10.1063/1.430638
[2]   HYDROGEN-BOND STUDIES .66. AB-INITIO STUDIES OF CONFORMATION OF OXONIUM ION IN SOLIDS [J].
ALMLOF, J ;
WAHLGREN, U .
THEORETICA CHIMICA ACTA, 1973, 28 (02) :161-168
[3]   TANDEM MASS-SPECTROMETER STUDY OF D3O+ AND SOLVATED DERIVATIVES [J].
DEPAZ, M ;
LEVENTHAL, JJ ;
FRIEDMAN, L .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (09) :3748-+
[4]  
DIERCKSEN GHF, MUNICH CI
[9]  
FERGUSON WI, 1980, THEORET CHIM ACTA, V53, P345
[10]  
FERGUSON WI, 1979, P DARESBURY STUDY WE