PNO-CEPA CALCULATION OF BARRIER HEIGHT FOR COLLINEAR ATOM EXCHANGE-REACTION CL' + HCL -] CL'H + CL

被引:21
作者
BOTSCHWINA, P [1 ]
MEYER, W [1 ]
机构
[1] UNIV MAINZ,INST PHYS CHEM,D-6500 MAINZ,FED REP GER
关键词
D O I
10.1016/0009-2614(76)80702-6
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:449 / 451
页数:3
相关论文
共 19 条
[1]   MATRIX REACTIONS OF ALKALI-METAL CHLORIDE SALTS AND HCL AND DCL - INFRARED SPECTRA OF M+HCI2- AND M+DCI2-IONS PAIRS [J].
AULT, BS ;
ANDREWS, L .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (06) :2466-2472
[2]   HYDROGEN DIBROMIDE RADICAL - INFRARED DETECTION THROUGH MATRIX ISOLATION TECHNIQUE [J].
BONDYBEY, V ;
PIMENTEL, GC ;
NOBLE, PN .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :540-&
[3]  
BOTSCHWINA P, TO BE PUBLISHED
[4]   RELAXATION OF HCL (V=1) AND DCL (V=1) BY CHLORINE ATOMS AT TEMPERATURES BETWEEN 195 AND 400K [J].
BROWN, RDH ;
GLASS, GP ;
SMITH, IWM .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1975, 71 :1963-+
[5]  
CADE PE, 1967, J CHEM PHYS, V47, P649, DOI 10.1063/1.1711939
[6]   ATOMIC NEGATIVE IONS . 2ND PERIOD [J].
CLEMENTI, E ;
RAIMONDI, DL ;
MCLEAN, AD ;
YOSHIMINE, M .
PHYSICAL REVIEW A-GENERAL PHYSICS, 1964, 133 (5A) :1274-&
[7]  
Gaydon A. G., 1953, DISSOCIATION ENERGIE
[8]   DEUTERIUM-ISOTOPE EFFECT IN CHLORINE EXCHANGE BETWEEN HYDROGEN CHLORIDE + CHLORINE ATOMS . STUDY OF MODELS FOR TUNNEL EFFECT [J].
KLEIN, FS ;
PERSKY, A ;
WESTON, RE .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (06) :1799-+
[9]   AB-INITIO POTENTIAL-ENERGY SURFACE FOR LINEAR H-3 [J].
LIU, B .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (05) :1925-1937
[10]   SEMIEMPIRICAL EXTRAPOLATION TECHNIQUE FOR ATOMIC AND MOLECULAR-PROPERTIES DERIVED FROM CORRELATED WAVEFUNCTIONS [J].
MEHLER, EL ;
MEYER, W .
CHEMICAL PHYSICS LETTERS, 1976, 38 (01) :144-148