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ANALYSIS OF AN ENERGY MINIMIZATION METHOD FOR LOCATING TRANSITION-STATES ON POTENTIAL-ENERGY HYPERSURFACES
被引:118
作者
:
ROTHMAN, MJ
论文数:
0
引用数:
0
h-index:
0
ROTHMAN, MJ
LOHR, LL
论文数:
0
引用数:
0
h-index:
0
LOHR, LL
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1980年
/ 70卷
/ 02期
关键词
:
D O I
:
10.1016/0009-2614(80)85361-9
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:405 / 409
页数:5
相关论文
共 26 条
[21]
CALCULATION OF TRANSITION-STATES
POPPINGER, D
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
POPPINGER, D
[J].
CHEMICAL PHYSICS LETTERS,
1975,
35
(04)
: 550
-
554
[22]
GEOMETRY OPTIMIZATION IN AB-INITIO MOLECULAR-ORBITAL THEORY
POPPINGER, D
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
POPPINGER, D
[J].
CHEMICAL PHYSICS LETTERS,
1975,
34
(02)
: 332
-
336
[23]
ROTHMAN MJ, UNPUBLISHED
[24]
AB-INITIO COMPUTATION OF FORCE CONSTANTS .1. 2ND AND 3RD PERIOD HYDRIDES
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
SCHLEGEL, HB
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
WOLFE, S
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
BERNARDI, F
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(08)
: 3632
-
3638
[25]
GROUP THEORETICAL SELECTION-RULES FOR TRANSITION-STATES OF CHEMICAL-REACTIONS
STANTON, RE
论文数:
0
引用数:
0
h-index:
0
机构:
CANISIUS COLL, DEPT CHEM, BUFFALO, NY 14208 USA
STANTON, RE
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
机构:
CANISIUS COLL, DEPT CHEM, BUFFALO, NY 14208 USA
MCIVER, JW
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(13)
: 3632
-
3646
[26]
WILDE DJ, 1964, OPTIMUM SEEKING METH, P107
←
1
2
3
→
共 26 条
[21]
CALCULATION OF TRANSITION-STATES
POPPINGER, D
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
POPPINGER, D
[J].
CHEMICAL PHYSICS LETTERS,
1975,
35
(04)
: 550
-
554
[22]
GEOMETRY OPTIMIZATION IN AB-INITIO MOLECULAR-ORBITAL THEORY
POPPINGER, D
论文数:
0
引用数:
0
h-index:
0
机构:
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA 2600,ACT,AUSTRALIA
POPPINGER, D
[J].
CHEMICAL PHYSICS LETTERS,
1975,
34
(02)
: 332
-
336
[23]
ROTHMAN MJ, UNPUBLISHED
[24]
AB-INITIO COMPUTATION OF FORCE CONSTANTS .1. 2ND AND 3RD PERIOD HYDRIDES
SCHLEGEL, HB
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
SCHLEGEL, HB
WOLFE, S
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
WOLFE, S
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
机构:
QUEENS UNIV,DEPT CHEM,KINGSTON,ONTARIO,CANADA
BERNARDI, F
[J].
JOURNAL OF CHEMICAL PHYSICS,
1975,
63
(08)
: 3632
-
3638
[25]
GROUP THEORETICAL SELECTION-RULES FOR TRANSITION-STATES OF CHEMICAL-REACTIONS
STANTON, RE
论文数:
0
引用数:
0
h-index:
0
机构:
CANISIUS COLL, DEPT CHEM, BUFFALO, NY 14208 USA
STANTON, RE
MCIVER, JW
论文数:
0
引用数:
0
h-index:
0
机构:
CANISIUS COLL, DEPT CHEM, BUFFALO, NY 14208 USA
MCIVER, JW
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(13)
: 3632
-
3646
[26]
WILDE DJ, 1964, OPTIMUM SEEKING METH, P107
←
1
2
3
→