DECOMPOSITION PATHWAYS OF CARBONOFLUOROCHLORIDIC ACID ON THE GROUND-STATE POTENTIAL-ENERGY SURFACE AND ITS IMPLICATION FOR A DESIGN STRATEGY FOR ALTERNATIVE HALOCARBONS

被引:9
作者
FRANCISCO, JS
机构
关键词
D O I
10.1016/0009-2614(89)85153-X
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:375 / 380
页数:6
相关论文
共 15 条
[1]   DISSOCIATION DYNAMICS OF FC(O)O AND CLC(O)O RADICALS [J].
FRANCISCO, JS ;
GOLDSTEIN, AN .
CHEMICAL PHYSICS, 1988, 127 (1-3) :73-79
[2]  
FRANCISCO JS, UNPUB J PHYS CHEM
[3]  
FRANCISCO JS, IN PRESS MOL PHYS
[4]  
FRISCH MJ, 1984, GAUSSIAN 86
[5]   INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].
HARIHARA.PC ;
POPLE, JA .
THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222
[6]  
HARLAS Z, 1985, J AM CHEM SOC, V107, P7243
[7]  
Hehre W. J., 1986, AB INITIO MOL ORBITA
[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]  
NAGUI K, 1981, J MOL SPECTROSC, V90, P249
[10]   THERMOCHEMICAL PARAMETERS FOR ORGANIC RADICALS AND RADICAL IONS .3. THE RELATIONSHIP BETWEEN BOND-DISSOCIATION ENTHALPY AND RADICAL STABILITY IN ALKYL SYSTEMS [J].
NICHOLAS, AMDP ;
ARNOLD, DR .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1984, 62 (09) :1850-1859