NUCLEAR-MOTION CORRECTIONS TO BORN-OPPENHEIMER BARRIER HEIGHTS FOR CHEMICAL-REACTIONS

被引：37

作者：

GARRETT, BC ^{[1
]}

TRUHLAR, DG ^{[1
]}

机构：

[1] UNIV MINNESOTA,DEPT CHEM,MINNEAPOLIS,MN 55455

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 82卷 / 10期

关键词：

D O I：

10.1063/1.448709

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：4543 / 4547

页数：5

共 63 条

[1]

ANLAUF KG, 1967, DISCUSS FARADAY SOC, V44, P183

[2]

[Anonymous], 1966, GAS PHASE REACTION R

[3] FRAGMENTS IN MOLECULES - THE DECOMPOSITION OF REACTION SURFACES INTO DIABATIC COMPONENTS IN THE FRAMEWORK OF AN AB-INITIO CI APPROACH [J].

BERNARDI, F ;

ROBB, MA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (01) :54-58

[4] VIBRONIC INTERACTIONS AND THE JAHN-TELLER EFFECT [J].

BERSUKER, IB ;

POLINGER, VZ .

ADVANCES IN QUANTUM CHEMISTRY, 1982, 15 :85-160

[5]

BERSUKER IB, 1984, JAHNTELLER EFFECT VI

[6] MONTE-CARLO TRAJECTORIES - DYNAMICS OF REACTION F+D2 ON A SEMIEMPIRICAL VALENCE-BOND POTENTIAL-ENERGY SURFACE [J].

BLAIS, NC ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (03) :1090-1108

[7]

BLAIS NC, 1971, LA4603 LOS AL SCI LA

[8]

Born M, 1954, DYNAMICAL THEORY CRY

[9]

Born M., 1951, GOOTTINGER NACHR MN, V1

[10] AN IMPROVED POTENTIAL-ENERGY SURFACE FOR F+H2-]HF+H AND H+H'F-]HF+H' [J].

BROWN, FB ;

STECKLER, R ;

SCHWENKE, DW ;

TRUHLAR, DG ;

GARRETT, BC .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01) :188-201

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