REACTION OF F+H2-]HF+H - CASE-STUDY IN REACTION DYNAMICS

被引:128
作者
POLANYI, JC [1 ]
SCHREIBER, JL [1 ]
机构
[1] UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, ONTARIO, CANADA
来源
FARADAY DISCUSSIONS | 1977年 / 62卷
关键词
D O I
10.1039/dc9776200267
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:267 / 289
页数:23
相关论文
共 82 条
[1]   ENERGY REQUIREMENTS FOR CHEMICAL REACTION - H+HF-!H2+F [J].
ANDERSON, JB .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (07) :3849-&
[2]   RATES OF ENDOTHERMIC REACTIONS HCL plus X(X=I,CL) AS A FUNCTION OF REAGENT VIBRATION, ROTATION, AND TRANSLATION [J].
ANLAUF, KG ;
MAYLOTTE, DH ;
POLANYI, JC ;
BERNSTEIN, RB .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (12) :5716-+
[3]   POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR F+H2-]FH+H - REFINED LINEAR SURFACE [J].
BENDER, CF ;
SCHAEFER, HF ;
PEARSON, PK ;
ONEIL, SV .
SCIENCE, 1972, 176 (4042) :1412-&
[4]   POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE [J].
BENDER, CF ;
SCHAEFER, HF ;
ONEIL, SV ;
PEARSON, PK .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) :4626-&
[5]   F+H2, D2, HD REACTIONS - CHEMICAL LASER DETERMINATION OF PRODUCT VIBRATIONAL-STATE POPULATIONS AND F+HD INTRAMOLECULAR KINETIC ISOTOPE-EFFECT [J].
BERRY, MJ .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) :6229-6253
[6]   MONTE-CARLO TRAJECTORIES - DYNAMICS OF REACTION F+D2 ON A SEMIEMPIRICAL VALENCE-BOND POTENTIAL-ENERGY SURFACE [J].
BLAIS, NC ;
TRUHLAR, DG .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1090-1108
[7]   VIOLATION OF MICROSCOPIC REVERSIBILITY AND USE OF REVERSE QUASI-CLASSICAL TRAJECTORIES FOR CALCULATING REACTION CROSS-SECTIONS [J].
BOWMAN, JM ;
SCHATZ, GC ;
KUPPERMA.A .
CHEMICAL PHYSICS LETTERS, 1974, 24 (03) :378-380
[8]   EXACT QUANTUM TRANSITION-PROBABILITIES BY STATE PATH SUM METHOD - COLLINEAR F+H2 REACTION [J].
CONNOR, JNL ;
JAKUBETZ, W ;
MANZ, J .
MOLECULAR PHYSICS, 1975, 29 (02) :347-355
[9]   TEMPERATURE-DEPENDENCE OF VIBRATIONAL ENERGY-DISTRIBUTIONS IN REACTIONS F + H2 AND F + D2 [J].
COOMBE, RD ;
PIMENTEL, GC .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (01) :251-257
[10]   EFFECTS OF ROTATION ON VIBRATIONAL ENERGY-DISTRIBUTIONS IN REACTION F+H2 [J].
COOMBE, RD ;
PIMENTEL, GC .
JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (03) :1535-1536