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THE MMP2 CALCULATIONAL METHOD
被引:282
作者
:
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
[
1
]
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
[
1
]
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
[
1
]
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
[
1
]
机构
:
[1]
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1987年
/ 8卷
/ 05期
关键词
:
D O I
:
10.1002/jcc.540080504
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:581 / 603
页数:23
相关论文
共 67 条
[1]
MOLECULAR-STRUCTURE OF CYCLOHEPTADIENE
[J].
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
;
SPRAGUE, JT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
SPRAGUE, JT
.
TETRAHEDRON,
1973,
29
(23)
:3811
-3812
[2]
CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS
[J].
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
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(25)
:8127
-8134
[3]
CONFORMATIONAL ANALYSIS .69. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF HYDROCARBONS
[J].
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
;
WERTZ, DH
论文数:
0
引用数:
0
h-index:
0
WERTZ, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(07)
:1637
-&
[4]
SYNTHESIS, STRUCTURE, AND PROPERTIES OF [7]PARACYCLOPHANE RING-SYSTEM
[J].
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
;
WALTER, TJ
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
WALTER, TJ
;
NEWTON, MG
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
NEWTON, MG
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(14)
:4588
-4597
[5]
CALCULATION OF STRUCTURES OF HYDROCARBONS CONTAINING DELOCALIZED ELECTRONIC SYSTEMS BY MOLECULAR MECHANICS METHOD
[J].
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
ALLINGER, NL
;
SPRAGUE, JT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
SPRAGUE, JT
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(12)
:3893
-3907
[6]
CONFORMATIONAL-ANALYSIS .104. STRUCTURES, ENERGIES, AND ELECTRONIC ABSORPTION-SPECTRA OF [N]PARACYCLOPHANES
[J].
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
;
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
;
LILJEFOR.T
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
LILJEFOR.T
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(16)
:5100
-5104
[7]
BICYCLO(6.2.0)DECAPENTAENE
[J].
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
ALLINGER, NL
;
YUH, YH
论文数:
0
引用数:
0
h-index:
0
YUH, YH
.
PURE AND APPLIED CHEMISTRY,
1983,
55
(02)
:191
-197
[8]
HEAT CAPACITY AND THERMODYNAMIC PROPERTIES OF [2.2]PARACYCLOPHANE - MECHANISM OF 50-DEGREES K TRANSITION
[J].
ANDREWS, JTS
论文数:
0
引用数:
0
h-index:
0
ANDREWS, JTS
;
WESTRUM, EF
论文数:
0
引用数:
0
h-index:
0
WESTRUM, EF
.
JOURNAL OF PHYSICAL CHEMISTRY,
1970,
74
(10)
:2170
-+
[9]
RING INVERSION IN CYCLOHEPTATRIENE
[J].
ANET, FAL
论文数:
0
引用数:
0
h-index:
0
ANET, FAL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1964,
86
(03)
:458
-&
[10]
[Anonymous], 1976, ADV PHYS ORG CHEM
←
1
2
3
4
5
6
7
→
共 67 条
[1]
MOLECULAR-STRUCTURE OF CYCLOHEPTADIENE
[J].
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
;
SPRAGUE, JT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
SPRAGUE, JT
.
TETRAHEDRON,
1973,
29
(23)
:3811
-3812
[2]
CONFORMATIONAL-ANALYSIS .130. MM2 - HYDROCARBON FORCE-FIELD UTILIZING V1 AND V2 TORSIONAL TERMS
[J].
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
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(25)
:8127
-8134
[3]
CONFORMATIONAL ANALYSIS .69. IMPROVED FORCE FIELD FOR CALCULATION OF STRUCTURES AND ENERGIES OF HYDROCARBONS
[J].
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
;
WERTZ, DH
论文数:
0
引用数:
0
h-index:
0
WERTZ, DH
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(07)
:1637
-&
[4]
SYNTHESIS, STRUCTURE, AND PROPERTIES OF [7]PARACYCLOPHANE RING-SYSTEM
[J].
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
;
WALTER, TJ
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
WALTER, TJ
;
NEWTON, MG
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
NEWTON, MG
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(14)
:4588
-4597
[5]
CALCULATION OF STRUCTURES OF HYDROCARBONS CONTAINING DELOCALIZED ELECTRONIC SYSTEMS BY MOLECULAR MECHANICS METHOD
[J].
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
ALLINGER, NL
;
SPRAGUE, JT
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30601
SPRAGUE, JT
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1973,
95
(12)
:3893
-3907
[6]
CONFORMATIONAL-ANALYSIS .104. STRUCTURES, ENERGIES, AND ELECTRONIC ABSORPTION-SPECTRA OF [N]PARACYCLOPHANES
[J].
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
;
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
;
LILJEFOR.T
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
LILJEFOR.T
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(16)
:5100
-5104
[7]
BICYCLO(6.2.0)DECAPENTAENE
[J].
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
ALLINGER, NL
;
YUH, YH
论文数:
0
引用数:
0
h-index:
0
YUH, YH
.
PURE AND APPLIED CHEMISTRY,
1983,
55
(02)
:191
-197
[8]
HEAT CAPACITY AND THERMODYNAMIC PROPERTIES OF [2.2]PARACYCLOPHANE - MECHANISM OF 50-DEGREES K TRANSITION
[J].
ANDREWS, JTS
论文数:
0
引用数:
0
h-index:
0
ANDREWS, JTS
;
WESTRUM, EF
论文数:
0
引用数:
0
h-index:
0
WESTRUM, EF
.
JOURNAL OF PHYSICAL CHEMISTRY,
1970,
74
(10)
:2170
-+
[9]
RING INVERSION IN CYCLOHEPTATRIENE
[J].
ANET, FAL
论文数:
0
引用数:
0
h-index:
0
ANET, FAL
.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1964,
86
(03)
:458
-&
[10]
[Anonymous], 1976, ADV PHYS ORG CHEM
←
1
2
3
4
5
6
7
→