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REACTION SURFACE DESCRIPTION OF INTRAMOLECULAR HYDROGEN-ATOM TRANSFER IN MALONALDEHYDE
被引:270
作者
:
CARRINGTON, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
CARRINGTON, T
[
1
]
MILLER, WH
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
MILLER, WH
[
1
]
机构
:
[1]
UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1986年
/ 84卷
/ 08期
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
相关论文
共 68 条
[31]
MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .8. MALONALDEHYDE AND SYMMETRIC HYDROGEN-BONDING IN NEUTRAL SPECIES
ISAACSON, AD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
ISAACSON, AD
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
[J].
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-
ISHIDA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
ISHIDA, K
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
KOMORNICKI, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(05)
: 2153
-
2156
[33]
THEORETICAL TREATMENT ON BEHAVIOR OF HYDROGEN-BONDED PROTON IN MALONALDEHYDE
KATO, S
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
KATO, S
KATO, H
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
KATO, H
FUKUI, K
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
FUKUI, K
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(03)
: 684
-
691
[34]
QUANTUM-MECHANICAL COUPLED-CHANNEL COLLISION-INDUCED DISSOCIATION CALCULATIONS WITH HYPERSPHERICAL COORDINATES
KAYE, JA
论文数:
0
引用数:
0
h-index:
0
KAYE, JA
KUPPERMANN, A
论文数:
0
引用数:
0
h-index:
0
KUPPERMANN, A
[J].
CHEMICAL PHYSICS LETTERS,
1981,
78
(03)
: 546
-
551
[35]
COLLINEAR QUANTUM-MECHANICAL PROBABILITIES FOR THE I+HI-]IH+I REACTION USING HYPERSPHERICAL COORDINATES
KAYE, JA
论文数:
0
引用数:
0
h-index:
0
KAYE, JA
KUPPERMANN, A
论文数:
0
引用数:
0
h-index:
0
KUPPERMANN, A
[J].
CHEMICAL PHYSICS LETTERS,
1981,
77
(03)
: 573
-
579
[36]
ON THE COLLINEAR I+HI AND I+MUI REACTIONS
MANZ, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER
MANZ, J
ROMELT, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER
ROMELT, J
[J].
CHEMICAL PHYSICS LETTERS,
1981,
81
(02)
: 179
-
184
[37]
ON ANALYTICAL MECHANICS OF CHEMICAL REACTIONS . CLASSICAL MECHANICS OF LINEAR COLLISIONS
MARCUS, RA
论文数:
0
引用数:
0
h-index:
0
MARCUS, RA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(12)
: 4500
-
+
[38]
ANALYTICAL MECHANICS OF CHEMICAL REACTIONS .3. NATURAL COLLISION COORDINATES
MARCUS, RA
论文数:
0
引用数:
0
h-index:
0
MARCUS, RA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(06)
: 2610
-
&
[39]
ON ANALYTICAL MECHANICS OF CHEMICAL REACTIONS . QUANTUM MECHANICS OF LINEAR COLLISIONS
MARCUS, RA
论文数:
0
引用数:
0
h-index:
0
MARCUS, RA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(12)
: 4493
-
+
[40]
STRUCTURE OF TRANSITION-STATES IN ORGANIC REACTIONS - GENERAL THEORY AND AN APPLICATION TO CYCLOBUTENE-BUTADIENE ISOMERIZATION USING A SEMIEMPIRICAL MOLECULAR-ORBITAL METHOD
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
MCIVER, JW
KOMORNIC.A
论文数:
0
引用数:
0
h-index:
0
KOMORNIC.A
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(08)
: 2625
-
&
←
1
2
3
4
5
6
7
→
共 68 条
[31]
MOLECULAR-ORBITAL STUDIES OF HYDROGEN-BONDS .8. MALONALDEHYDE AND SYMMETRIC HYDROGEN-BONDING IN NEUTRAL SPECIES
ISAACSON, AD
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
ISAACSON, AD
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
[J].
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-
ISHIDA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
ISHIDA, K
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
KOMORNICKI, A
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
KOMORNICKI, A
[J].
JOURNAL OF CHEMICAL PHYSICS,
1977,
66
(05)
: 2153
-
2156
[33]
THEORETICAL TREATMENT ON BEHAVIOR OF HYDROGEN-BONDED PROTON IN MALONALDEHYDE
KATO, S
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
KATO, S
KATO, H
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
KATO, H
FUKUI, K
论文数:
0
引用数:
0
h-index:
0
机构:
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
KYOTO UNIV,DEPT HYDROCARBON CHEM,KYOTO 606,JAPAN
FUKUI, K
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(03)
: 684
-
691
[34]
QUANTUM-MECHANICAL COUPLED-CHANNEL COLLISION-INDUCED DISSOCIATION CALCULATIONS WITH HYPERSPHERICAL COORDINATES
KAYE, JA
论文数:
0
引用数:
0
h-index:
0
KAYE, JA
KUPPERMANN, A
论文数:
0
引用数:
0
h-index:
0
KUPPERMANN, A
[J].
CHEMICAL PHYSICS LETTERS,
1981,
78
(03)
: 546
-
551
[35]
COLLINEAR QUANTUM-MECHANICAL PROBABILITIES FOR THE I+HI-]IH+I REACTION USING HYPERSPHERICAL COORDINATES
KAYE, JA
论文数:
0
引用数:
0
h-index:
0
KAYE, JA
KUPPERMANN, A
论文数:
0
引用数:
0
h-index:
0
KUPPERMANN, A
[J].
CHEMICAL PHYSICS LETTERS,
1981,
77
(03)
: 573
-
579
[36]
ON THE COLLINEAR I+HI AND I+MUI REACTIONS
MANZ, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER
MANZ, J
ROMELT, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER
UNIV BONN,LEHRSTUHL THEORET CHEM,D-5300 BONN 1,FED REP GER
ROMELT, J
[J].
CHEMICAL PHYSICS LETTERS,
1981,
81
(02)
: 179
-
184
[37]
ON ANALYTICAL MECHANICS OF CHEMICAL REACTIONS . CLASSICAL MECHANICS OF LINEAR COLLISIONS
MARCUS, RA
论文数:
0
引用数:
0
h-index:
0
MARCUS, RA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(12)
: 4500
-
+
[38]
ANALYTICAL MECHANICS OF CHEMICAL REACTIONS .3. NATURAL COLLISION COORDINATES
MARCUS, RA
论文数:
0
引用数:
0
h-index:
0
MARCUS, RA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(06)
: 2610
-
&
[39]
ON ANALYTICAL MECHANICS OF CHEMICAL REACTIONS . QUANTUM MECHANICS OF LINEAR COLLISIONS
MARCUS, RA
论文数:
0
引用数:
0
h-index:
0
MARCUS, RA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
45
(12)
: 4493
-
+
[40]
STRUCTURE OF TRANSITION-STATES IN ORGANIC REACTIONS - GENERAL THEORY AND AN APPLICATION TO CYCLOBUTENE-BUTADIENE ISOMERIZATION USING A SEMIEMPIRICAL MOLECULAR-ORBITAL METHOD
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
MCIVER, JW
KOMORNIC.A
论文数:
0
引用数:
0
h-index:
0
KOMORNIC.A
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(08)
: 2625
-
&
←
1
2
3
4
5
6
7
→