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HOW TO DETERMINE THE FORCE-CONSTANTS OF MM2 FORCE-FIELD IN A CONSISTENT WAY
被引:4
作者
:
HASE, Y
论文数:
0
引用数:
0
h-index:
0
机构:
YOKOHAMA NATL UNIV, FAC ENGN,DEPT SYNTHET CHEM,156 TOKIWADAI, HODOGAYA KU, YOKOHAMA, KANAGAWA 240, JAPAN
YOKOHAMA NATL UNIV, FAC ENGN,DEPT SYNTHET CHEM,156 TOKIWADAI, HODOGAYA KU, YOKOHAMA, KANAGAWA 240, JAPAN
HASE, Y
[
1
]
SAKAKIBARA, K
论文数:
0
引用数:
0
h-index:
0
机构:
YOKOHAMA NATL UNIV, FAC ENGN,DEPT SYNTHET CHEM,156 TOKIWADAI, HODOGAYA KU, YOKOHAMA, KANAGAWA 240, JAPAN
YOKOHAMA NATL UNIV, FAC ENGN,DEPT SYNTHET CHEM,156 TOKIWADAI, HODOGAYA KU, YOKOHAMA, KANAGAWA 240, JAPAN
SAKAKIBARA, K
[
1
]
HIROTA, M
论文数:
0
引用数:
0
h-index:
0
机构:
YOKOHAMA NATL UNIV, FAC ENGN,DEPT SYNTHET CHEM,156 TOKIWADAI, HODOGAYA KU, YOKOHAMA, KANAGAWA 240, JAPAN
YOKOHAMA NATL UNIV, FAC ENGN,DEPT SYNTHET CHEM,156 TOKIWADAI, HODOGAYA KU, YOKOHAMA, KANAGAWA 240, JAPAN
HIROTA, M
[
1
]
机构
:
[1]
YOKOHAMA NATL UNIV, FAC ENGN,DEPT SYNTHET CHEM,156 TOKIWADAI, HODOGAYA KU, YOKOHAMA, KANAGAWA 240, JAPAN
来源
:
CHEMISTRY LETTERS
|
1989年
/ 08期
关键词
:
D O I
:
10.1246/cl.1989.1507
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:1507 / 1510
页数:4
相关论文
共 9 条
[1]
Allinger N. L., 1980, QCPE, P395
[2]
CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(25)
: 8127
-
8134
[3]
A Relation Between Internuclear Distances and Bond Force Constants
Badger, Richard M.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Gates Chem Lab, Pasadena, CA USA
CALTECH, Gates Chem Lab, Pasadena, CA USA
Badger, Richard M.
[J].
JOURNAL OF CHEMICAL PHYSICS,
1934,
2
(03)
[4]
BURKERT U, 1982, MOL MECHANICS
[5]
CORRELATIONS OF BENDING MODE FORCE-CONSTANTS AMONG POLYATOMIC-MOLECULES
CHANG, CA
论文数:
0
引用数:
0
h-index:
0
CHANG, CA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(10)
: 1694
-
1696
[6]
MOLECULAR MECHANICS FORCE-FIELD PARAMETERIZATION PROCEDURES
HOPFINGER, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
SEARLE RES & DEV, DEPT MED CHEM, SKOKIE, IL 60077 USA
SEARLE RES & DEV, DEPT MED CHEM, SKOKIE, IL 60077 USA
HOPFINGER, AJ
PEARLSTEIN, RA
论文数:
0
引用数:
0
h-index:
0
机构:
SEARLE RES & DEV, DEPT MED CHEM, SKOKIE, IL 60077 USA
SEARLE RES & DEV, DEPT MED CHEM, SKOKIE, IL 60077 USA
PEARLSTEIN, RA
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1984,
5
(05)
: 486
-
499
[7]
PROFETA S, 1985, J AM CHEM SOC, V107, P1970
[8]
SCHNUR DM, 1987, J ORG CHEM, V53, P3313
[9]
THE MMP2 CALCULATIONAL METHOD
SPRAGUE, JT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
SPRAGUE, JT
TAI, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
TAI, JC
YUH, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
YUH, Y
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1987,
8
(05)
: 581
-
603
←
1
→
共 9 条
[1]
Allinger N. L., 1980, QCPE, P395
[2]
CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(25)
: 8127
-
8134
[3]
A Relation Between Internuclear Distances and Bond Force Constants
Badger, Richard M.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Gates Chem Lab, Pasadena, CA USA
CALTECH, Gates Chem Lab, Pasadena, CA USA
Badger, Richard M.
[J].
JOURNAL OF CHEMICAL PHYSICS,
1934,
2
(03)
[4]
BURKERT U, 1982, MOL MECHANICS
[5]
CORRELATIONS OF BENDING MODE FORCE-CONSTANTS AMONG POLYATOMIC-MOLECULES
CHANG, CA
论文数:
0
引用数:
0
h-index:
0
CHANG, CA
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(10)
: 1694
-
1696
[6]
MOLECULAR MECHANICS FORCE-FIELD PARAMETERIZATION PROCEDURES
HOPFINGER, AJ
论文数:
0
引用数:
0
h-index:
0
机构:
SEARLE RES & DEV, DEPT MED CHEM, SKOKIE, IL 60077 USA
SEARLE RES & DEV, DEPT MED CHEM, SKOKIE, IL 60077 USA
HOPFINGER, AJ
PEARLSTEIN, RA
论文数:
0
引用数:
0
h-index:
0
机构:
SEARLE RES & DEV, DEPT MED CHEM, SKOKIE, IL 60077 USA
SEARLE RES & DEV, DEPT MED CHEM, SKOKIE, IL 60077 USA
PEARLSTEIN, RA
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1984,
5
(05)
: 486
-
499
[7]
PROFETA S, 1985, J AM CHEM SOC, V107, P1970
[8]
SCHNUR DM, 1987, J ORG CHEM, V53, P3313
[9]
THE MMP2 CALCULATIONAL METHOD
SPRAGUE, JT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
SPRAGUE, JT
TAI, JC
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
TAI, JC
YUH, Y
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
YUH, Y
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1987,
8
(05)
: 581
-
603
←
1
→