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ENERGY BARRIERS OF SYMMETRY-FORBIDDEN REACTIONS - LOCAL DENSITY FUNCTIONAL CALCULATIONS
被引:23
作者
:
GRODZICKI, M
论文数:
0
引用数:
0
h-index:
0
GRODZICKI, M
SEMINARIO, JM
论文数:
0
引用数:
0
h-index:
0
SEMINARIO, JM
POLITZER, P
论文数:
0
引用数:
0
h-index:
0
POLITZER, P
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1991年
/ 94卷
/ 02期
关键词
:
D O I
:
10.1063/1.459971
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:1668 / 1669
页数:2
相关论文
共 12 条
[11]
SEMINARIO JM, UNPUB
[12]
THE DETERMINATION OF MOLECULAR-STRUCTURES BY DENSITY FUNCTIONAL THEORY - THE EVALUATION OF ANALYTICAL ENERGY GRADIENTS BY NUMERICAL-INTEGRATION
VERSLUIS, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
VERSLUIS, L
ZIEGLER, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
ZIEGLER, T
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(01)
: 322
-
328
←
1
2
→
共 12 条
[11]
SEMINARIO JM, UNPUB
[12]
THE DETERMINATION OF MOLECULAR-STRUCTURES BY DENSITY FUNCTIONAL THEORY - THE EVALUATION OF ANALYTICAL ENERGY GRADIENTS BY NUMERICAL-INTEGRATION
VERSLUIS, L
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
VERSLUIS, L
ZIEGLER, T
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
UNIV CALGARY, DEPT CHEM, CALGARY T2N 1N4, ALBERTA, CANADA
ZIEGLER, T
[J].
JOURNAL OF CHEMICAL PHYSICS,
1988,
88
(01)
: 322
-
328
←
1
2
→