ABINITIO CALCULATION OF THE TRANSITION-STATE PROPERTIES AND ADDITION RATE CONSTANTS FOR H + C2H2 AND SELECTED ISOTOPIC ANALOGS

被引：72

作者：

HARDING, LB

WAGNER, AF

BOWMAN, JM

SCHATZ, GC

CHRISTOFFEL, K

机构：

[1] ARGONNE NATL LAB,DIV CHEM,THEORET CHEM GRP,ARGONNE,IL 60439

[2] IIT,DEPT CHEM,CHICAGO,IL 60616

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1982年 / 86卷 / 22期

关键词：

D O I：

10.1021/j100219a009

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：4312 / 4327

页数：16

共 72 条

[1]

Benson S.W., 1976, THERMOCHEMICAL KINET, Vsecond

[2]

BINKLEY S, UNPUB

[3]

BOBROWICZ FW, 1979, THESIS CALIFORNIA I

[4] TESTS OF COLLINEAR QUASICLASSICAL TRAJECTORY TRANSMISSION COEFFICIENT CORRECTION TO TRANSITION-STATE THEORY [J].

BOWMAN, JM ;

JU, GZ ;

LEE, KT ;

WAGNER, AF ;

SCHATZ, GC .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (01) :141-147

[5] ENERGY TRANSFER IN THERMAL METHYL ISOCYANIDE ISOMERIZATION - RELATIVE CROSS SECTIONS OF FLUOROALKANES AND NITRILES [J].

CHAN, SC ;

BRYANT, JT ;

SPICER, LD ;

RABINOVI.BS .

JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (10) :2058-&

[6]

CHRISTOFFEL KM, J CHEM PHYS

[7] KINETICS OF THE REACTION OF ATOMIC HYDROGEN WITH ACETYLENE [J].

DINGLE, JR ;

LEROY, DJ .

JOURNAL OF CHEMICAL PHYSICS, 1950, 18 (12) :1632-1637

[8]

DUNNING TH, 1971, METHODS ELECTRONIC S, pCH1

[9]

DUNNING TH, UNPUB

[10] ARRHENIUS PARAMETERS FOR THE SYSTEM (CH3)3SI+D2 REVERSIBLE (CH3)3SID+D - THE (CH3)3SI-D BOND-DISSOCIATION ENERGY [J].

ELLUL, R ;

POTZINGER, P ;

REIMANN, B ;

CAMILLERI, P .

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1981, 85 (05) :407-412

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