CONSTITUENT ANALYSIS OF POTENTIAL GRADIENT ALONG A REACTION COORDINATE - METHOD AND AN APPLICATION TO CH4 + T REACTION

被引：361
作者：
FUKUI, K [1 ]
KATO, S [1 ]
FUJIMOTO, H [1 ]
机构：
[1] KYOTO UNIV,DEPT HYDROCARBON CHEM,SAKYO,KYOTO,JAPAN
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1975年 / 97卷 / 01期
关键词：
D O I：
10.1021/ja00834a001
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
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页码：1 / 7
页数：7
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共 65 条
[1]   CONFIGURATION ANALYSIS IN LCAO MOLECULAR ORBITAL THEORY [J].
BABA, H ;
SUZUKI, S ;
TAKEMURA, T .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (05) :2078-&
[2]   VIBRATIONALLY INDUCED PERTURBATIONS IN MOLECULAR ELECTRON DISTRIBUTIONS [J].
BADER, RFW .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1962, 40 (06) :1164-&
[3]  
BADER RFW, 1968, CAN J CHEM, V46, P955
[4]   REACTIONS OF 2.8-EV TRITIUM ATOMS WITH METHANE [J].
CHOU, CC ;
ROWLAND, FS .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (12) :5133-+
[5]   THRESHOLD ENERGY FOR SUBSTITUTION OF T FOR D IN CD4 [J].
CHOU, CC ;
ROWLAND, FS .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (06) :2763-&
[6]   FORCE CONCEPT IN CHEMISTRY [J].
DEB, BM .
REVIEWS OF MODERN PHYSICS, 1973, 45 (01) :22-43
[7]   SELF-CONSISTENT FIELD INTERMOLECULAR ORBITAL THEORY OF INTERACTION BETWEEN CONJUGATED SYSTEMS [J].
DEVAQUET, A .
MOLECULAR PHYSICS, 1970, 18 (02) :233-&
[8]   INTERMOLECULAR ORBITAL THEORY .3. THERMAL AND PHOTOCHEMICAL DIMERIZATION OF UNSATURATED KETONES [J].
DEVAQUET, A ;
SALEM, L .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (14) :3793-&
[9]   GROUND-STATES OF DELTA-BONDED MOLECULES .16. REARRANGEMENT OF METHYL ISOCYANIDE TO ACETONITRILE [J].
DEWAR, MJS ;
KOHN, MC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (08) :2704-&
[10]   AB-INITIO STUDIES OF HYDROGEN-EXCHANGE AND ABSTRACTION IN H + CH4 SYSTEM [J].
EHRENSON, S ;
NEWTON, MD .
CHEMICAL PHYSICS LETTERS, 1972, 13 (01) :24-&
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