2-CONFIGURATION MC POTENTIAL-ENERGY SURFACE FOR THE REACTION OF MG WITH HF

被引:19
作者
PANIAGUA, M
DELAVEGA, JMG
COLLADO, JRA
SANZ, JC
ALVARINO, JM
LAGANA, A
机构
[1] UNIV SALAMANCA,FAC QUIM,DEPT QUIM FIS,E-37008 SALAMANCA,SPAIN
[2] UNIV PERUGIA,DEPARTIMENTO CHIM,I-06100 PERUGIA,ITALY
关键词
D O I
10.1016/0301-0104(86)87022-7
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:55 / 65
页数:11
相关论文
共 39 条
[1]  
AQUILANTI V, 1983, J MOL STRUCT, V93, P319
[2]  
AQUILANTI V, 1984, J MOL STRUCT, V107, P95
[3]   DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SYMMETRIC CASE [J].
BABAMOV, VK ;
MARCUS, RA .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) :1790-1798
[4]  
BARONE V, UNPUB
[5]   EFFECT OF CHANGING REAGENT ENERGY ON REACTION DYNAMICS .11. DEPENDENCE OF REACTION-RATE ON VIBRATIONAL-EXCITATION IN ENDOTHERMIC REACTIONS HX(V REAG)+NA-]H+NAX(X=F,CL) [J].
BARTOSZEK, FE ;
BLACKWELL, BA ;
POLANYI, JC ;
SLOAN, JJ .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (06) :3400-3410
[6]   STUDY OF THE REACTION DYNAMICS OF LI+HF, HCL BY THE CROSSED MOLECULAR-BEAMS METHOD [J].
BECKER, CH ;
CASAVECCHIA, P ;
TIEDEMANN, PW ;
VALENTINI, JJ ;
LEE, YT .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (06) :2833-2850
[7]   EFFECT OF CHANGING REAGENT ENERGY .9. DEPENDENCE OF REACTION-RATE ON ROTATIONAL EXCITATION IN HX(J-UPSILON) + NA-]H + NAX(X=F,CL) [J].
BLACKWELL, BA ;
POLANYI, JC ;
SLOAN, JJ .
CHEMICAL PHYSICS, 1978, 30 (03) :299-306
[9]   THEORETICAL 3-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR THE REACTION OF BE WITH HF [J].
CHAPMAN, S ;
DUPUIS, M ;
GREEN, S .
CHEMICAL PHYSICS, 1983, 78 (01) :93-105
[10]   POTENTIAL-ENERGY SURFACE FOR THE LI+HF-]LIF+H REACTION [J].
CHEN, MML ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (08) :4376-4393