MONTE-CARLO TRAJECTORIES - DYNAMICS OF REACTION F+D2 ON A SEMIEMPIRICAL VALENCE-BOND POTENTIAL-ENERGY SURFACE

被引：140

作者：

BLAIS, NC

TRUHLAR, DG

机构：

[1] UNIV CALIF,LOS ALAMOS SCI LAB,LOS ALAMOS,NM 87544

[2] UNIV MINNESOTA,DEPT CHEM,CHEM DYNAM LAB,MINNEAPOLIS,MN 55455

来源：

JOURNAL OF CHEMICAL PHYSICS | 1973年 / 58卷 / 03期

关键词：

D O I：

10.1063/1.1679291

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：1090 / 1108

页数：19

共 60 条

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[2] POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR F+H2-]FH+H - REFINED LINEAR SURFACE
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SCHAEFER, HF
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[J]. SCIENCE, 1972, 176 (4042) : 1412 - &
[3] POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE
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[4] THEORETICAL STUDY OF SEVERAL ELECTRONIC STATES OF HYDROGEN FLUORIDE MOLECULE
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[6] MONTE CARLO CALCULATIONS .V. 3-DIMENSIONAL STUDY OF GENERAL BIMOLECULAR INTERACTION POTENTIAL
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (08) : 2377 - &
[7] EMPIRICAL EVALUATION OF LONDON POTENTIAL ENERGY SURFACE FOR H PLUS H2 REACTION
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 40 (08) : 2358 - &
[8] POTENTIAL-ENERGY SURFACE FOR H+H2 REACTION
ELLISON, FO
[J]. JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (07) : 2198 - &
[9] Chemiluminescence. Notes on the luminescence of sodium vapour in highly dilute flames.
Evans, MG
Polanyi, M
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1939, 35 (01): : 0178 - 0184
[10] Eyring H, 1931, Z PHYS CHEM B-CHEM E, V12, P279

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