INCORPORATION OF QUANTUM EFFECTS IN GENERALIZED-TRANSITION-STATE THEORY

被引：287

作者：

TRUHLAR, DG ^{[1
]}

ISAACSON, AD ^{[1
]}

SKODJE, RT ^{[1
]}

GARRETT, BC ^{[1
]}

机构：

[1] CHEM DYNAM CORP, COLUMBUS, OH 43220 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 12期

关键词：

D O I：

10.1021/j100209a021

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：2252 / 2261

页数：10

共 84 条

[1] TEST OF VALIDITY OF COMBINED PHASE-SPACE-TRAJECTORY METHOD [J].

ANDERSON, JB .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (06) :2446-2453

[2] STATISTICAL-THEORIES OF CHEMICAL REACTIONS - DISTRIBUTIONS IN TRANSITION REGION [J].

ANDERSON, JB .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (10) :4684-4692

[3]

[Anonymous], 1967, ADV CHEM PHYS, DOI 10.1002/9780470140154.ch5

[4] COLLINEAR CL + XY SYSTEM (X,Y=H,D,T) - COMPARISON BETWEEN QUANTUM-MECHANICAL, CLASSICAL, AND TRANSITION-STATE THEORY RESULTS [J].

BAER, M ;

HALAVEE, U ;

PERSKY, A .

JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (12) :5122-5131

[5] KINETIC ISOTOPE EFFECTS IN THE MU+H2 AND MU+D2 REACTIONS - ACCURATE QUANTUM CALCULATIONS FOR THE COLLINEAR REACTIONS AND VARIATIONAL TRANSITION-STATE THEORY PREDICTIONS FOR ONE AND 3 DIMENSIONS [J].

BONDI, DK ;

CLARY, DC ;

CONNOR, JNL ;

GARRETT, BC ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (10) :4986-4995

[6] CLASSICAL AND QUANTUM REACTION PROBABILITIES AND THERMAL RATE CONSTANTS FOR COLLINEAR H/H2 EXCHANGE REACTION WITH VIBRATIONAL EXCITATION [J].

BOWMAN, JM ;

KUPPERMA.A .

CHEMICAL PHYSICS LETTERS, 1971, 12 (01) :1-+

[7] INCORPORATION OF COLLINEAR EXACT QUANTUM REACTION PROBABILITIES INTO 3-DIMENSIONAL TRANSITION-STATE THEORY [J].

BOWMAN, JM ;

JU, GZ ;

LEE, KT .

JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (12) :2232-2239

[8]

CARNEY GD, 1975, INT J QUANTUM CHEM, P317

[9] IMPROVED POTENTIAL FUNCTIONS FOR BENT AB2 MOLECULES - WATER AND OZONE [J].

CARNEY, GD ;

CURTISS, LA ;

LANGHOFF, SR .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1976, 61 (03) :371-381

[10] ISOTOPE EFFECTS AND CHEMICAL-REACTION DYNAMICS OF MUONIUM IN THE GAS-PHASE [J].

CONNOR, JNL .

HYPERFINE INTERACTIONS, 1981, 8 (4-6) :423-434

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