POTENTIAL-ENERGY CHARACTERISTICS AND ENERGY PARTITIONING IN CHEMICAL-REACTIONS - ABINITIO MO STUDY OF 4-CENTERED ELIMINATION-REACTION CH3CH2F-]CH2=CH2+HF

被引：187

作者：

KATO, S

MOROKUMA, K

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1980年 / 73卷 / 08期

关键词：

D O I：

10.1063/1.440576

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：3900 / 3914

页数：15

共 71 条

[61] 3 AND 4 CENTER ELIMINATION OF HCL IN MULTI-PHOTON DISSOCIATION OF HALOGENATED HYDROCARBONS [J].

SUDBO, AS ;

SCHULZ, PA ;

SHEN, YR ;

LEE, YT .

JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (06) :2312-2322

[62]

Sutton L.E., 1958, CHEM SOC SPEC PUBL, V11

[63] INTRINSIC FIELD-THEORY OF CHEMICAL-REACTIONS [J].

TACHIBANA, A ;

FUKUI, K .

THEORETICA CHIMICA ACTA, 1979, 51 (04) :275-296

[64] INTRINSIC DYNAMISM IN CHEMICALLY REACTING SYSTEMS [J].

TACHIBANA, A ;

FUKUI, K .

THEORETICA CHIMICA ACTA, 1979, 51 (03) :189-206

[65]

TRUHLAR DG, 1979, ATOM MOL COLLISION T, pCH18

[66] RELATIVE INTENSITIES OF MICROWAVE ABSORPTION LINES [J].

VERDIER, PH ;

WILSON, EB .

JOURNAL OF CHEMICAL PHYSICS, 1958, 29 (02) :340-347

[67] TRANSITION-STATE PROBE [J].

WILLIAMS, DH .

ACCOUNTS OF CHEMICAL RESEARCH, 1977, 10 (08) :280-286

[68]

WYATT RE, 1979, ATOM MOL COLLISION T, pCH17

[69]

YOSHIMINE M, 1980, QC03 NAT RES COMP CH, V1

[70] STOCHASTIC REDUCTION FOR DYNAMICS OF REACTIONS WITH COMPLEX-FORMATION [J].

ZVIJAC, DJ ;

MUKAMEL, S ;

ROSS, J .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (05) :2007-2016

← 1 2 3 4 5 6 7 8 →