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CHLOROSILANES - DEVELOPMENT AND APPLICATION OF MM2 FORCE-FIELD PARAMETERS
被引:17
作者
:
CHO, SG
论文数:
0
引用数:
0
h-index:
0
机构:
LOUISIANA STATE UNIV, DEPT CHEM, BATON ROUGE, LA 70803 USA
CHO, SG
UNWALLA, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
LOUISIANA STATE UNIV, DEPT CHEM, BATON ROUGE, LA 70803 USA
UNWALLA, RJ
CARTLEDGE, FK
论文数:
0
引用数:
0
h-index:
0
机构:
LOUISIANA STATE UNIV, DEPT CHEM, BATON ROUGE, LA 70803 USA
CARTLEDGE, FK
PROFETA, S
论文数:
0
引用数:
0
h-index:
0
机构:
LOUISIANA STATE UNIV, DEPT CHEM, BATON ROUGE, LA 70803 USA
PROFETA, S
机构
:
[1]
LOUISIANA STATE UNIV, DEPT CHEM, BATON ROUGE, LA 70803 USA
[2]
GLAXO INC, DEPT SCI COMP, RES TRIANGLE PK, NC 27709 USA
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1989年
/ 10卷
/ 06期
关键词
:
D O I
:
10.1002/jcc.540100606
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:832 / 849
页数:18
相关论文
共 113 条
[1]
APPROACHES TO CHARGE CALCULATIONS IN MOLECULAR MECHANICS
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
ICI LTD,MOND DIV,RUNCORN,CHESHIRE,ENGLAND
ABRAHAM, RJ
GRIFFITHS, L
论文数:
0
引用数:
0
h-index:
0
机构:
ICI LTD,MOND DIV,RUNCORN,CHESHIRE,ENGLAND
GRIFFITHS, L
LOFTUS, P
论文数:
0
引用数:
0
h-index:
0
机构:
ICI LTD,MOND DIV,RUNCORN,CHESHIRE,ENGLAND
LOFTUS, P
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1982,
3
(03)
: 407
-
416
[2]
ELECTRON DIFFRACTION DETERMINATION OF MOLECULAR STRUCTURES OF PERCHLORODISILOXANE AND METHOXYTRIFLUOROSILANE
AIREY, W
论文数:
0
引用数:
0
h-index:
0
AIREY, W
GLIDEWELL, C
论文数:
0
引用数:
0
h-index:
0
GLIDEWELL, C
ROBIETTE, AG
论文数:
0
引用数:
0
h-index:
0
ROBIETTE, AG
SHELDRICK, GM
论文数:
0
引用数:
0
h-index:
0
SHELDRICK, GM
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1971,
8
(04)
: 413
-
+
[3]
ELECTRON DIFFRACTION DETERMINATION OF MOLECULAR STRUCTURES OF TRICHLORO-SILYL-DIMETHYLAMINE AND TRIFLUORO-SILYL-DIMETHYLAMINE
AIREY, W
论文数:
0
引用数:
0
h-index:
0
AIREY, W
GLIDEWELL, C
论文数:
0
引用数:
0
h-index:
0
GLIDEWELL, C
ROBIETTE, AG
论文数:
0
引用数:
0
h-index:
0
ROBIETTE, AG
SHELDRICK, GM
论文数:
0
引用数:
0
h-index:
0
SHELDRICK, GM
FREEMAN, JM
论文数:
0
引用数:
0
h-index:
0
FREEMAN, JM
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1971,
8
(04)
: 423
-
+
[4]
Allinger N. L., 1980, QCPE, P395
[5]
CONFORMATIONAL-ANALYSIS .123. CARBOXYLIC-ACIDS AND ESTERS IN FORCE-FIELD CALCULATIONS
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
CHANG, SHM
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
CHANG, SHM
[J].
TETRAHEDRON,
1977,
33
(13)
: 1561
-
1567
[6]
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
[7]
CONFORMATIONAL-ANALYSIS .79. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF CARBONYL-COMPOUNDS
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
ALLINGER, NL
TRIBBLE, MT
论文数:
0
引用数:
0
h-index:
0
TRIBBLE, MT
MILLER, MA
论文数:
0
引用数:
0
h-index:
0
MILLER, MA
[J].
TETRAHEDRON,
1972,
28
(05)
: 1173
-
&
[8]
CONFORMATIONAL ANALYSIS .65. CALCULATION BY WESTHEIMER METHOD OF STRUCTURES AND ENERGIES OF A VARIETY OF ORGANIC MOLECULES CONTAINING NITROGEN OXYGEN AND HALOGEN
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Wayne State University, Detroit
ALLINGER, NL
HIRSCH, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Wayne State University, Detroit
HIRSCH, JA
MILLER, MA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Wayne State University, Detroit
MILLER, MA
TYMINSKI, IJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Wayne State University, Detroit
TYMINSKI, IJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(02)
: 337
-
&
[9]
CONFORMATIONAL-ANALYSIS .118. APPLICATION OF MOLECULAR-MECHANICS METHOD TO ALCOHOLS AND ETHERS
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
ALLINGER, NL
CHUNG, DY
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
CHUNG, DY
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(22)
: 6798
-
6803
[10]
ALLINGER NL, 1980, ISRAEL J CHEM, V20, P51
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1
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5
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8
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共 113 条
[1]
APPROACHES TO CHARGE CALCULATIONS IN MOLECULAR MECHANICS
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
ICI LTD,MOND DIV,RUNCORN,CHESHIRE,ENGLAND
ABRAHAM, RJ
GRIFFITHS, L
论文数:
0
引用数:
0
h-index:
0
机构:
ICI LTD,MOND DIV,RUNCORN,CHESHIRE,ENGLAND
GRIFFITHS, L
LOFTUS, P
论文数:
0
引用数:
0
h-index:
0
机构:
ICI LTD,MOND DIV,RUNCORN,CHESHIRE,ENGLAND
LOFTUS, P
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1982,
3
(03)
: 407
-
416
[2]
ELECTRON DIFFRACTION DETERMINATION OF MOLECULAR STRUCTURES OF PERCHLORODISILOXANE AND METHOXYTRIFLUOROSILANE
AIREY, W
论文数:
0
引用数:
0
h-index:
0
AIREY, W
GLIDEWELL, C
论文数:
0
引用数:
0
h-index:
0
GLIDEWELL, C
ROBIETTE, AG
论文数:
0
引用数:
0
h-index:
0
ROBIETTE, AG
SHELDRICK, GM
论文数:
0
引用数:
0
h-index:
0
SHELDRICK, GM
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1971,
8
(04)
: 413
-
+
[3]
ELECTRON DIFFRACTION DETERMINATION OF MOLECULAR STRUCTURES OF TRICHLORO-SILYL-DIMETHYLAMINE AND TRIFLUORO-SILYL-DIMETHYLAMINE
AIREY, W
论文数:
0
引用数:
0
h-index:
0
AIREY, W
GLIDEWELL, C
论文数:
0
引用数:
0
h-index:
0
GLIDEWELL, C
ROBIETTE, AG
论文数:
0
引用数:
0
h-index:
0
ROBIETTE, AG
SHELDRICK, GM
论文数:
0
引用数:
0
h-index:
0
SHELDRICK, GM
FREEMAN, JM
论文数:
0
引用数:
0
h-index:
0
FREEMAN, JM
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1971,
8
(04)
: 423
-
+
[4]
Allinger N. L., 1980, QCPE, P395
[5]
CONFORMATIONAL-ANALYSIS .123. CARBOXYLIC-ACIDS AND ESTERS IN FORCE-FIELD CALCULATIONS
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
CHANG, SHM
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
CHANG, SHM
[J].
TETRAHEDRON,
1977,
33
(13)
: 1561
-
1567
[6]
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
[7]
CONFORMATIONAL-ANALYSIS .79. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF CARBONYL-COMPOUNDS
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
ALLINGER, NL
TRIBBLE, MT
论文数:
0
引用数:
0
h-index:
0
TRIBBLE, MT
MILLER, MA
论文数:
0
引用数:
0
h-index:
0
MILLER, MA
[J].
TETRAHEDRON,
1972,
28
(05)
: 1173
-
&
[8]
CONFORMATIONAL ANALYSIS .65. CALCULATION BY WESTHEIMER METHOD OF STRUCTURES AND ENERGIES OF A VARIETY OF ORGANIC MOLECULES CONTAINING NITROGEN OXYGEN AND HALOGEN
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Wayne State University, Detroit
ALLINGER, NL
HIRSCH, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Wayne State University, Detroit
HIRSCH, JA
MILLER, MA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Wayne State University, Detroit
MILLER, MA
TYMINSKI, IJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Wayne State University, Detroit
TYMINSKI, IJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1969,
91
(02)
: 337
-
&
[9]
CONFORMATIONAL-ANALYSIS .118. APPLICATION OF MOLECULAR-MECHANICS METHOD TO ALCOHOLS AND ETHERS
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
ALLINGER, NL
CHUNG, DY
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
CHUNG, DY
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(22)
: 6798
-
6803
[10]
ALLINGER NL, 1980, ISRAEL J CHEM, V20, P51
←
1
2
3
4
5
6
7
8
9
10
→