REACTION SURFACE DESCRIPTION OF INTRAMOLECULAR HYDROGEN-ATOM TRANSFER IN MALONALDEHYDE

被引:270
作者
CARRINGTON, T [1 ]
MILLER, WH [1 ]
机构
[1] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
关键词
D O I
10.1063/1.450058
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
收藏
页码:4364 / 4370
页数:7
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[31]   MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .8. MALONALDEHYDE AND SYMMETRIC HYDROGEN-BONDING IN NEUTRAL SPECIES [J].
ISAACSON, AD ;
MOROKUMA, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (16) :4453-4457
[32]   INTRINSIC REACTION COORDINATE - AN ABINITIO CALCULATION FOR HNC-]HCN AND H-+CH4-]CH4+H- [J].
ISHIDA, K ;
MOROKUMA, K ;
KOMORNICKI, A .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (05) :2153-2156
[33]   THEORETICAL TREATMENT ON BEHAVIOR OF HYDROGEN-BONDED PROTON IN MALONALDEHYDE [J].
KATO, S ;
KATO, H ;
FUKUI, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (03) :684-691
[34]   QUANTUM-MECHANICAL COUPLED-CHANNEL COLLISION-INDUCED DISSOCIATION CALCULATIONS WITH HYPERSPHERICAL COORDINATES [J].
KAYE, JA ;
KUPPERMANN, A .
CHEMICAL PHYSICS LETTERS, 1981, 78 (03) :546-551
[35]   COLLINEAR QUANTUM-MECHANICAL PROBABILITIES FOR THE I+HI-]IH+I REACTION USING HYPERSPHERICAL COORDINATES [J].
KAYE, JA ;
KUPPERMANN, A .
CHEMICAL PHYSICS LETTERS, 1981, 77 (03) :573-579
[36]   ON THE COLLINEAR I+HI AND I+MUI REACTIONS [J].
MANZ, J ;
ROMELT, J .
CHEMICAL PHYSICS LETTERS, 1981, 81 (02) :179-184
[38]   ANALYTICAL MECHANICS OF CHEMICAL REACTIONS .3. NATURAL COLLISION COORDINATES [J].
MARCUS, RA .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (06) :2610-&