ENERGETICS OF THE REACTIONS OF FCO WITH O2 USING UNRESTRICTED MOLLER-PLESSET PERTURBATION-THEORY WITH SPIN ANNIHILATION

被引:18
作者
FRANCISCO, JS
ZHAO, Y
机构
关键词
D O I
10.1016/0009-2614(88)80144-1
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:296 / 302
页数:7
相关论文
共 19 条
[1]  
ANTONIK S, 1982, B SOC CHIM FRANCE I, V83
[2]   THE THERMOCHEMISTRY OF POLYOXIDES AND POLYOXY RADICALS [J].
FRANCISCO, JS ;
WILLIAMS, IH .
INTERNATIONAL JOURNAL OF CHEMICAL KINETICS, 1988, 20 (06) :455-466
[3]  
FRANCISCO JS, IN PRESS
[4]  
FRISCH MJ, 1984, GAUSSIAN 86
[5]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .22. SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS [J].
GORDON, MS ;
BINKLEY, JS ;
POPLE, JA ;
PIETRO, WJ ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) :2797-2803
[6]  
HERAS JM, 1962, AN ASOC QUIM ARGENT, V50, P1
[7]  
Herzberg G., 1950, SPECTRA DIATOMIC MOL
[8]   APPROXIMATE 4TH-ORDER PERTURBATION-THEORY OF ELECTRON CORRELATION ENERGY [J].
KRISHNAN, R ;
POPLE, JA .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1978, 14 (01) :91-100
[9]  
Krupenie P. H., 1972, J PHYS CHEM REF DATA, V1, P423, DOI DOI 10.1063/1.3253101
[10]   INFRARED DIODE-LASER SPECTROSCOPY OF FCO - THE NU-1 AND NU-2 BANDS [J].
NAGAI, K ;
YAMADA, C ;
ENDO, Y ;
HIROTA, E .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1981, 90 (01) :249-272