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APPROACHES TO CHARGE CALCULATIONS IN MOLECULAR MECHANICS .2. RESONANCE EFFECTS IN CONJUGATED SYSTEMS
被引:31
作者
:
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
ABRAHAM, RJ
HUDSON, B
论文数:
0
引用数:
0
h-index:
0
HUDSON, B
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1984年
/ 5卷
/ 06期
关键词
:
D O I
:
10.1002/jcc.540050609
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:562 / 570
页数:9
相关论文
共 16 条
[1]
CONFORMATIONAL EQUILIBRIA IN HALOCYCLOHEXANONES, AN NMR AND SOLVATION STUDY
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
ABRAHAM, RJ
GRIFFITHS, L
论文数:
0
引用数:
0
h-index:
0
GRIFFITHS, L
[J].
TETRAHEDRON,
1981,
37
(03)
: 575
-
583
[2]
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
[3]
ITERATIVE PARTIAL EQUALIZATION OF ORBITAL ELECTRONEGATIVITY - A RAPID ACCESS TO ATOMIC CHARGES
GASTEIGER, J
论文数:
0
引用数:
0
h-index:
0
GASTEIGER, J
MARSILI, M
论文数:
0
引用数:
0
h-index:
0
MARSILI, M
[J].
TETRAHEDRON,
1980,
36
(22)
: 3219
-
3228
[4]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .3. AB-INITIO STUDIES OF CHARGE DISTRIBUTION USING A MINIMAL SLATER-TYPE BASIS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(08)
: 2191
-
+
[5]
Hellwege KH, 1976, STRUCTURE DATA FREE, V7
[6]
ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS
HINZE, J
论文数:
0
引用数:
0
h-index:
0
HINZE, J
JAFFE, HH
论文数:
0
引用数:
0
h-index:
0
JAFFE, HH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1962,
84
(04)
: 540
-
&
[7]
MCCLELLAN AL, 1963, TABLES EXPT DIPOLE M, V1
[8]
McClellan AL, 1974, TABLES EXPT DIPOLE M, V2
[9]
NEW EMPIRICAL-METHOD TO CALCULATE AVERAGE MOLECULAR POLARIZABILITIES
MILLER, KJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Rensselaer Polytechnic Institute, Troy
MILLER, KJ
SAVCHIK, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Rensselaer Polytechnic Institute, Troy
SAVCHIK, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(24)
: 7206
-
7213
[10]
Mislow K, 1965, INTRO STEREOCHEMISTR
←
1
2
→
共 16 条
[1]
CONFORMATIONAL EQUILIBRIA IN HALOCYCLOHEXANONES, AN NMR AND SOLVATION STUDY
ABRAHAM, RJ
论文数:
0
引用数:
0
h-index:
0
ABRAHAM, RJ
GRIFFITHS, L
论文数:
0
引用数:
0
h-index:
0
GRIFFITHS, L
[J].
TETRAHEDRON,
1981,
37
(03)
: 575
-
583
[2]
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
[3]
ITERATIVE PARTIAL EQUALIZATION OF ORBITAL ELECTRONEGATIVITY - A RAPID ACCESS TO ATOMIC CHARGES
GASTEIGER, J
论文数:
0
引用数:
0
h-index:
0
GASTEIGER, J
MARSILI, M
论文数:
0
引用数:
0
h-index:
0
MARSILI, M
[J].
TETRAHEDRON,
1980,
36
(22)
: 3219
-
3228
[4]
MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .3. AB-INITIO STUDIES OF CHARGE DISTRIBUTION USING A MINIMAL SLATER-TYPE BASIS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(08)
: 2191
-
+
[5]
Hellwege KH, 1976, STRUCTURE DATA FREE, V7
[6]
ELECTRONEGATIVITY .1. ORBITAL ELECTRONEGATIVITY OF NEUTRAL ATOMS
HINZE, J
论文数:
0
引用数:
0
h-index:
0
HINZE, J
JAFFE, HH
论文数:
0
引用数:
0
h-index:
0
JAFFE, HH
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1962,
84
(04)
: 540
-
&
[7]
MCCLELLAN AL, 1963, TABLES EXPT DIPOLE M, V1
[8]
McClellan AL, 1974, TABLES EXPT DIPOLE M, V2
[9]
NEW EMPIRICAL-METHOD TO CALCULATE AVERAGE MOLECULAR POLARIZABILITIES
MILLER, KJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Rensselaer Polytechnic Institute, Troy
MILLER, KJ
SAVCHIK, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Rensselaer Polytechnic Institute, Troy
SAVCHIK, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1979,
101
(24)
: 7206
-
7213
[10]
Mislow K, 1965, INTRO STEREOCHEMISTR
←
1
2
→