DISTRIBUTION OF REACTION-PRODUCTS (THEORY) - INVESTIGATION OF AN AB-INITIO ENERGY-SURFACE FOR F+H2-]HF+H

被引：52

作者：

POLANYL, JC ^{[1
]}

SCHREIBER, JL ^{[1
]}

机构：

[1] UNIV TORONTO, DEPT CHEM, TORONTO M5S 1A1, CANADA

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 29卷 / 03期

关键词：

D O I：

10.1016/0009-2614(74)85115-8

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

页码：319 / 322

页数：4

共 31 条

[1] 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-&

[2] RELATION BETWEEN COLLINEAR AND 3-D DYNAMICAL CALCULATIONS OF REACTIVE MOLECULAR COLLISIONS [J].

BERNSTEIN, RB ;

LEVINE, RD .

CHEMICAL PHYSICS LETTERS, 1974, 29 (03) :314-318

[3] 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

[4] 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

[5] REVISED GENERAL A+BC POTENTIAL FOR TRAJECTORY STUDIES [J].

BUNKER, DL ;

PARR, CA .

JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (11) :5700-&

[6] MONTE CARLO CALCULATIONS .V. 3-DIMENSIONAL STUDY OF GENERAL BIMOLECULAR INTERACTION POTENTIAL [J].

BUNKER, DL ;

BLAIS, NC .

JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (08) :2377-&

[7]

HOMANN KH, 1970, Z ELEKTROCHEM, V6, P585

[8] CLASSICAL TRAJECTORY ANALYSIS OF REACTION F+H2-]HF+H [J].

JAFFE, RL ;

ANDERSON, JB .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (05) :2224-&

[9] INITIAL VIBRATIONAL ENERGY DISTRIBUTIONS DETERMINED BY INFRA-RED CHEMILUMINESCENCE .1. REACTION OF FLUORINE ATOMS WITH HYDROGEN AND METHANE [J].

JONATHAN, N ;

MELLIARS.CM ;

SLATER, DH .

MOLECULAR PHYSICS, 1971, 20 (01) :93-&

[10] ENERGY DISTRIBUTION AMONG PRODUCTS OF EXOTHERMIC REACTIONS .2. REPULSIVE MIXED AND ATTRACTIVE ENERGY RELEASE [J].

KUNTZ, PJ ;

NEMETH, EM ;

POLANYI, JC ;

ROSNER, SD ;

YOUNG, CE .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (03) :1168-&

← 1 2 3 4 →