QUANTUM-CHEMISTRY BY RANDOM-WALK - LINEAR H-3

被引：42

作者：

MENTCH, F

ANDERSON, JB

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1984年 / 80卷 / 06期

关键词：

D O I：

10.1063/1.447063

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：2675 / 2680

页数：6

共 31 条

[21]

SCHATZ GC, 1981, POTENTIAL ENERGY SUR, P287

[22] KINETICS OF REACTION H PLUS D2 EQUALS HD PLUS D [J].

SCHULZ, WR ;

LEROY, DJ .

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1964, 42 (11) :2480-&

[23] KINETICS OF REACTION H+P-H2 EQUALS O-H2+H [J].

SCHULZ, WR ;

LEROY, DJ .

JOURNAL OF CHEMICAL PHYSICS, 1965, 42 (11) :3869-&

[24] POTENTIAL-ENERGY SURFACE FOR H3 [J].

SHAVITT, I ;

STEVENS, RM ;

MINN, FL ;

KARPLUS, M .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (06) :2700-&

[25] ACCURATE 3-DIMENSIONAL POTENTIAL-ENERGY SURFACE FOR H-3 [J].

SIEGBAHN, P ;

LIU, B .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05) :2457-2465

[26] FUNCTIONAL REPRESENTATION OF LIU AND SIEGBAHNS ACCURATE ABINITIO POTENTIAL-ENERGY CALCULATIONS FOR H+H2 [J].

Truhlar, DG ;

Horowitz, CJ .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (05) :2466-2476

[27]

TRUHLAR DG, 1979, J CHEM PHYS, V71, P1514, DOI 10.1063/1.438835

[28]

TRUHLAR DG, 1977, ADV CHEM PHYS, V36, P141

[29]

VOTER A, 1981, COMMUNICATION

[30] THEORETICAL-ANALYSIS OF THE QUANTUM CONTRIBUTIONS TO THE REACTIONS H-2(V=1)+H-]H+H-2(V'=0,1) AND H-2(V=1)+D-]H+HD(V'=0,1) [J].

WALKER, RB ;

HAYES, EF .

JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (07) :1255-1263

← 1 2 3 4 →