COMPARISON OF QUASICLASSICAL TRAJECTORY CALCULATIONS TO ACCURATE QUANTUM-MECHANICS FOR STATE-TO-STATE PARTIAL CROSS-SECTIONS AT LOW TOTAL ANGULAR-MOMENTUM FOR THE REACTION D+H2-]HD+H

被引：38

作者：

BLAIS, NC

ZHAO, MH

MLADENOVIC, M

TRUHLAR, DG

SCHWENKE, DW

SUN, Y

KOURI, DJ

机构：

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

[2] UNIV MINNESOTA,INST SUPERCOMP,MINNEAPOLIS,MN 55455

[3] NASA,AMES RES CTR,MOFFETT FIELD,CA 94035

[4] UNIV HOUSTON,DEPT CHEM,HOUSTON,TX 77204

[5] UNIV HOUSTON,DEPT PHYS,HOUSTON,TX 77204

来源：

JOURNAL OF CHEMICAL PHYSICS | 1989年 / 91卷 / 02期

关键词：

D O I：

10.1063/1.457227

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：1038 / 1042

页数：5

共 44 条

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BAER, M .

JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (06) :3043-3054

[2] MONTE-CARLO TRAJECTORY STUDY OF AR+H2 COLLISIONS .1. POTENTIAL-ENERGY SURFACE AND CROSS-SECTIONS FOR DISSOCIATION, RECOMBINATION, AND INELASTIC-SCATTERING [J].

BLAIS, NC ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (12) :5335-5356

[3] THE FINAL-STATE AND VELOCITY DISTRIBUTION OF THE REACTION D+H2-]HD+H AS A FUNCTION OF SCATTERING ANGLE [J].

BLAIS, NC ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (09) :5457-5464

[4] EFFECT OF BENDING POTENTIAL ON CALCULATED PRODUCT-STATE DISTRIBUTIONS FOR THE REACTION H+D2-]HD+D [J].

BLAIS, NC ;

TRUHLAR, DG ;

GARRETT, BC .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (05) :2300-2304

[5] PRODUCT STATE DISTRIBUTIONS FOR INELASTIC AND REACTIVE H + D-2 COLLISIONS AS FUNCTIONS OF COLLISION ENERGY [J].

BLAIS, NC ;

TRUHLAR, DG .

JOURNAL OF CHEMICAL PHYSICS, 1985, 83 (05) :2201-2206

[6] CALCULATED PRODUCT-STATE DISTRIBUTIONS FOR THE REACTION H+D2-]HD+D AT RELATIVE TRANSLATIONAL ENERGIES 0.55 AND 1.30 EV [J].

BLAIS, NC ;

TRUHLAR, DG .

CHEMICAL PHYSICS LETTERS, 1983, 102 (2-3) :120-125

[7] THE H+D2 REACTION - HD(UPSILON=1,J) AND HD(UPSILON=2,J) DISTRIBUTIONS AT A COLLISION ENERGY OF 1.3 EV [J].

BLAKE, RS ;

RINNEN, KD ;

KLINER, DAV ;

ZARE, RN .

CHEMICAL PHYSICS LETTERS, 1988, 153 (05) :365-370

[8]

BUCHENAU H, 1988, MOLEC 7, P191

[9] MONTE CARLO CALCULATIONS .V. 3-DIMENSIONAL STUDY OF GENERAL BIMOLECULAR INTERACTION POTENTIAL [J].

BUNKER, DL ;

BLAIS, NC .

JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (08) :2377-&

[10] STATE-RESOLVED DIFFERENTIAL CROSS-SECTIONS FOR THE REACTION D+H2-]HD+H [J].

BUNTIN, SA ;

GIESE, CF ;

GENTRY, WR .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (02) :1443-1445

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