CLASSICAL TRAJECTORIES FOR H+H2 REACTION ON A SPLINE-GENERATED POTENTIAL-ENERGY SURFACE

被引：28

作者：

GRAY, SK ^{[1
]}

WRIGHT, JS ^{[1
]}

机构：

[1] CARLETON UNIV,DEPT CHEM,OTTAWA K1S 5B6,ONTARIO,CANADA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1977年 / 66卷 / 07期

关键词：

D O I：

10.1063/1.434345

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：2867 / 2873

页数：7

共 17 条

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[2] EXACT QUANTUM TRANSITION-PROBABILITIES BY STATE PATH SUM METHOD - COLLINEAR F+H2 REACTION
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MANZ, J
[J]. MOLECULAR PHYSICS, 1975, 29 (02) : 347 - 355
[3] INFLUENCE OF VARIATIONS OF POTENTIAL-ENERGY SURFACE ON EXCHANGE-REACTION PROBABILITIES
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (05) : 2092 - &
[4] JOHNSTON HS, 1966, GAS PHASE REACTION R, pCH3
[5] REACTION PATH PROPERTIES AT CRITICAL-POINTS ON POTENTIAL SURFACES
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SILVER, DM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (10) : 4050 - 4052
[6] AB-INITIO DYNAMICS - HEH+ + H2 -] HE + H3+ (C 2NU) CLASSICAL TRAJECTORIES USING A QUANTUM-MECHANICAL POTENTIAL-ENERGY SURFACE
MCLAUGHLIN, DR
THOMPSON, DL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (08) : 4393 - 4405
[7] QUANTUM-MECHANICAL SCATTERING STUDIES USING 2D CUBIC SPLINE INTERPOLATION OF A POTENTIAL-ENERGY SURFACE
SATHYAMURTHY, N
KELLERHALS, GE
RAFF, LM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (05) : 2259 - 2261
[8] QUASICLASSICAL TRAJECTORY STUDIES USING 3D SPLINE INTERPOLATION OF ABINITIO SURFACES
SATHYAMURTHY, N
RAFF, LM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (01) : 464 - 473
[9] SHAMPINE LF, 1973, NUMERICAL COMPUTING
[10] CORRELATION OF EXPERIMENTAL RATE CONSTANTS OF HYDROGEN EXCHANGE REACTIONS WITH A THEORETICAL H3 POTENTIAL SURFACE USING TRANSITION-STATE THEORY
SHAVITT, I
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (09) : 4048 - &

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