A MODIFIED LEPS POTENTIAL-ENERGY SURFACE FOR THE F+H2 REACTION

被引:84
作者
TAKAYANAGI, T
SATO, S
机构
关键词
D O I
10.1016/0009-2614(88)87115-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:191 / 193
页数:3
相关论文
共 9 条
[1]   AN IMPROVED POTENTIAL-ENERGY SURFACE FOR F+H2-]HF+H AND H+H'F-]HF+H' [J].
BROWN, FB ;
STECKLER, R ;
SCHWENKE, DW ;
TRUHLAR, DG ;
GARRETT, BC .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01) :188-201
[2]   ABSOLUTE RATE COEFFICIENTS FOR F+H-2 AND F+D2 AT T=295-765 K [J].
HEIDNER, RF ;
BOTT, JF ;
GARDNER, CE ;
MELZER, JE .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (09) :4815-4821
[3]   EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2) [J].
KARPLUS, M ;
SHARMA, RD .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (09) :3259-&
[4]   MOLECULAR-BEAM STUDIES OF THE F+H2 REACTION [J].
NEUMARK, DM ;
WODTKE, AM ;
ROBINSON, GN ;
HAYDEN, CC ;
LEE, YT .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (07) :3045-3066
[5]   MOLECULAR-BEAM STUDIES OF THE F+D2 AND F+HD REACTIONS [J].
NEUMARK, DM ;
WODTKE, AM ;
ROBINSON, GN ;
HAYDEN, CC ;
SHOBATAKE, K ;
SPARKS, RK ;
SCHAFER, TP ;
LEE, YT .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (07) :3067-3077
[6]   A QUASICLASSICAL TRAJECTORY STUDY OF THE F+HH-REVERSIBLE-FH+H REACTION [J].
RON, S ;
BAER, M ;
POLLAK, E .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07) :4414-4422
[7]   ESTIMATION OF HIGHER-ORDER CORRELATION-EFFECTS ON THE POTENTIAL-ENERGY SURFACE FOR THE F+H2 REACTION IN THE SADDLE-POINT VICINITY [J].
SCHWENKE, DW ;
STECKLER, R ;
BROWN, FB ;
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (04) :2443-2444
[8]   LEGENDRE MOMENT METHOD FOR CALCULATING DIFFERENTIAL SCATTERING CROSS-SECTIONS FROM CLASSICAL TRAJECTORIES WITH MONTE-CARLO INITIAL CONDITIONS [J].
TRUHLAR, DG ;
BLAIS, NC .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (04) :1532-1539
[9]   THE TEMPERATURE-DEPENDENCE OF ABSOLUTE RATE CONSTANTS FOR THE F+H-2 AND F+D2 REACTIONS [J].
WURZBERG, E ;
HOUSTON, PL .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (09) :4811-4814