SEMI-EMPIRICAL 3-DIMENSIONAL POTENTIAL-ENERGY SURFACES SUITABLE FOR BOTH REACTION CHANNELS OF THE FH2,CLH2 SYSTEM

被引：55

作者：

LAST, I ^{[1
]}

BAER, M ^{[1
]}

机构：

[1] WEIZMANN INST SCI,DEPT CHEM PHYS,REHOVOT 76100,ISRAEL

来源：

JOURNAL OF CHEMICAL PHYSICS | 1981年 / 75卷 / 01期

关键词：

D O I：

10.1063/1.441835

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：288 / 299

页数：12

共 65 条

[1] EXACT QUANTUM-MECHANICAL STUDY OF ISOTOPIC COLLINEAR REACTIVE SYSTEMS H2+CL AND D2+CL
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[J]. MOLECULAR PHYSICS, 1974, 27 (05) : 1429 - 1435
[2] THEORETICAL-STUDY OF EXOTHERMIC REACTIONS
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BESWICK, JA
[J]. CHEMICAL PHYSICS, 1977, 21 (03) : 443 - 452
[3] COLLINEAR CL + XY SYSTEM (X,Y=H,D,T) - COMPARISON BETWEEN QUANTUM-MECHANICAL, CLASSICAL, AND TRANSITION-STATE THEORY RESULTS
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HALAVEE, U
PERSKY, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) : 5122 - 5131
[4] POTENTIAL-ENERGY SURFACE INCLUDING ELECTRON CORRELATION FOR CHEMICAL F+H2-]FH+H .1. PRELIMINARY SURFACE
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ONEIL, SV
PEARSON, PK
[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) : 4626 - &
[5] CRITICAL TEST OF SEMIEMPIRICAL FH2 POTENTIAL-ENERGY SURFACES - BARRIER HEIGHT FOR H + FH HF + H
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GARRISON, BJ
SCHAEFER, HF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (03) : 1188 - 1190
[6] MONTE-CARLO TRAJECTORIES - DYNAMICS OF REACTION F+D2 ON A SEMIEMPIRICAL VALENCE-BOND POTENTIAL-ENERGY SURFACE
BLAIS, NC
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) : 1090 - 1108
[7] PNO-CEPA CALCULATION OF COLLINEAR POTENTIAL-ENERGY BARRIERS FOR THERMONEUTRAL EXCHANGE-REACTIONS
BOTSCHWINA, P
MEYER, W
[J]. CHEMICAL PHYSICS, 1977, 20 (01) : 43 - 52
[8] SHOCK-TUBE STUDY OF REACTION OF H ATOMS WITH DF
BOTT, JF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (05) : 1976 - 1981
[9] NONEMPIRICAL LCAO-MO-SCF STUDY OF ENERGY SURFACE FOR LINEAR HEH2+
BROWN, PJ
HAYES, EF
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) : 922 - &
[10] F+H2 (NU=0)-]FH (NU'LESS-THAN-OR-EQUAL-TO3)+H REACTION - QUANTUM COLLINEAR REACTION PROBABILITIES ON 3 DIFFERENT POTENTIAL-ENERGY SURFACES
CONNOR, JNL
JAKUBETZ, W
MANZ, J
[J]. MOLECULAR PHYSICS, 1978, 35 (05) : 1301 - 1323

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