ROTATED MORSE CURVE-SPLINE POTENTIAL FUNCTION FOR A+BC REACTION DYNAMICS - APPLICATION TO (CL, HBR), (F,H2), AND (H+,H2)

被引：40

作者：

WRIGHT, JS

GRAY, SK

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 69卷 / 01期

关键词：

D O I：

10.1063/1.436347

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：67 / 81

页数：15

共 66 条

[1] POTENTIAL SURFACE DEPENDENCE OF VIBRATIONALLY INELASTIC-COLLISIONS BETWEEN HE AND H2 [J].

ALEXANDER, MH ;

BERARD, EV .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (10) :3950-3957

[2]

BALINTKURTI GG, 1977, FARADAY DISCUSS, V62, P77

[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] CRITICAL TEST OF SEMIEMPIRICAL FH2 POTENTIAL-ENERGY SURFACES - BARRIER HEIGHT FOR H + FH HF + H [J].

BENDER, CF ;

GARRISON, BJ ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (03) :1188-1190

[5] SADDLE POINT GEOMETRY AND BARRIER HEIGHT FOR H+F2-]HF+F [J].

BENDER, CF ;

BAUSCHLICHER, CW ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (09) :3707-3708

[6] MONTE-CARLO TRAJECTORY STUDY OF AR+H2 COLLISIONS .1. POTENTIAL-ENERGY SURFACE AND CROSS-SECTIONS FOR DISSOCIATION, RECOMBINATION, AND INELASTIC-SCATTERING [J].

BLAIS, NC ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) :5335-5356

[7] TRAJECTORY STUDIES OF HALOGEN ATOM-MOLECULE EXCHANGE REACTIONS [J].

BORNE, TB ;

BUNKER, DL .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (10) :4861-&

[8] SEMI-NUMERICAL APPROACH TO CONSTRUCTION AND FITTING OF TRIATOMIC POTENTIAL-ENERGY SURFACES [J].

BOWMAN, JM ;

KUPPERMANN, A .

CHEMICAL PHYSICS LETTERS, 1975, 34 (03) :523-527

[9] MONTE-CARLO QUASI-CLASSICAL TRAJECTORY STUDY OF CL + HBR - EFFECT OF REACTANT VIBRATION ON REACTION-RATE AND PRODUCT ENERGY [J].

BROWN, JC ;

BASS, HE ;

THOMPSON, DL .

JOURNAL OF PHYSICAL CHEMISTRY, 1977, 81 (05) :479-485

[10]

Bunker D.L., 1971, METHODS COMPUTATIONA, V10, P287

← 1 2 3 4 5 6 7 →