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GROUND-STATES OF MOLECULES .56. MNDO CALCULATIONS FOR MOLECULES CONTAINING SULFUR
被引:128
作者
:
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
MCKEE, ML
机构
:
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1983年
/ 4卷
/ 01期
关键词
:
D O I
:
10.1002/jcc.540040113
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:84 / 103
页数:20
相关论文
共 24 条
[1]
CONFORMATIONAL-ANALYSIS .111. CALCULATION OF STRUCTURES AND ENERGIES OF DISULFIDES BY MOLECULAR MECHANICS METHOD
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
HICKEY, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
HICKEY, MJ
KAO, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
KAO, J
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(10)
: 2741
-
2745
[2]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS
COLLINS, JB
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
COLLINS, JB
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(12)
: 5142
-
5151
[3]
ROLE OF D-ORBITALS IN PREDICTING ACCURATE GEOMETRIES USING AB-INITIO MOLECULAR-ORBITAL METHODS
COLLINS, MPS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LANCASTER,DEPT CHEM,LANCASTER LA1 4YA,LANCASHIRE,ENGLAND
UNIV LANCASTER,DEPT CHEM,LANCASTER LA1 4YA,LANCASHIRE,ENGLAND
COLLINS, MPS
DUKE, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LANCASTER,DEPT CHEM,LANCASTER LA1 4YA,LANCASHIRE,ENGLAND
UNIV LANCASTER,DEPT CHEM,LANCASTER LA1 4YA,LANCASHIRE,ENGLAND
DUKE, BJ
[J].
CHEMICAL PHYSICS LETTERS,
1976,
42
(02)
: 364
-
366
[4]
GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4907
-
4917
[5]
GROUND-STATES OF MOLECULES .41. MNDO RESULTS FOR MOLECULES CONTAINING BORON
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
MCKEE, ML
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(16)
: 5231
-
5241
[6]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4899
-
4907
[7]
GROUND-STATES OF MOLECULES .40. MNDO RESULTS FOR MOLECULES CONTAINING FLUORINE
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(01)
: 58
-
67
[8]
MNDO PARAMETERS FOR 3RD PERIOD ELEMENTS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
MCKEE, ML
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(11)
: 3607
-
3607
[9]
GROUND STATES OF CONJUGATED MOLECULES .9. HYDROCARBON RADICALS AND RADICAL IONS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
HASHMALL, JA
论文数:
0
引用数:
0
h-index:
0
HASHMALL, JA
VENIER, CG
论文数:
0
引用数:
0
h-index:
0
VENIER, CG
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(08)
: 1953
-
&
[10]
THE STRUCTURE OF THE PHOSPHONITRILIC HALIDES
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
LUCKEN, EAC
论文数:
0
引用数:
0
h-index:
0
LUCKEN, EAC
WHITEHEAD, MA
论文数:
0
引用数:
0
h-index:
0
WHITEHEAD, MA
[J].
JOURNAL OF THE CHEMICAL SOCIETY,
1960,
(JUN):
: 2423
-
2429
←
1
2
3
→
共 24 条
[1]
CONFORMATIONAL-ANALYSIS .111. CALCULATION OF STRUCTURES AND ENERGIES OF DISULFIDES BY MOLECULAR MECHANICS METHOD
ALLINGER, NL
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
ALLINGER, NL
HICKEY, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
HICKEY, MJ
KAO, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV GEORGIA,DEPT CHEM,ATHENS,GA 30602
KAO, J
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1976,
98
(10)
: 2741
-
2745
[2]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .17. GEOMETRIES AND BINDING-ENERGIES OF 2ND-ROW MOLECULES - COMPARISON OF 3 BASIS SETS
COLLINS, JB
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
COLLINS, JB
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
SCHLEYER, PV
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
PRINCETON UNIV, DEPT CHEM, PRINCETON, NJ 08540 USA
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1976,
64
(12)
: 5142
-
5151
[3]
ROLE OF D-ORBITALS IN PREDICTING ACCURATE GEOMETRIES USING AB-INITIO MOLECULAR-ORBITAL METHODS
COLLINS, MPS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LANCASTER,DEPT CHEM,LANCASTER LA1 4YA,LANCASHIRE,ENGLAND
UNIV LANCASTER,DEPT CHEM,LANCASTER LA1 4YA,LANCASHIRE,ENGLAND
COLLINS, MPS
DUKE, BJ
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV LANCASTER,DEPT CHEM,LANCASTER LA1 4YA,LANCASHIRE,ENGLAND
UNIV LANCASTER,DEPT CHEM,LANCASTER LA1 4YA,LANCASHIRE,ENGLAND
DUKE, BJ
[J].
CHEMICAL PHYSICS LETTERS,
1976,
42
(02)
: 364
-
366
[4]
GROUND-STATES OF MOLECULES .39. MNDO RESULTS FOR MOLECULES CONTAINING HYDROGEN, CARBON, NITROGEN, AND OXYGEN
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4907
-
4917
[5]
GROUND-STATES OF MOLECULES .41. MNDO RESULTS FOR MOLECULES CONTAINING BORON
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
MCKEE, ML
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(16)
: 5231
-
5241
[6]
GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
DEWAR, MJS
THIEL, W
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
UNIV TEXAS,DEPT CHEM,AUSTIN,TX 78712
THIEL, W
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1977,
99
(15)
: 4899
-
4907
[7]
GROUND-STATES OF MOLECULES .40. MNDO RESULTS FOR MOLECULES CONTAINING FLUORINE
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(01)
: 58
-
67
[8]
MNDO PARAMETERS FOR 3RD PERIOD ELEMENTS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
MCKEE, ML
论文数:
0
引用数:
0
h-index:
0
MCKEE, ML
RZEPA, HS
论文数:
0
引用数:
0
h-index:
0
RZEPA, HS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1978,
100
(11)
: 3607
-
3607
[9]
GROUND STATES OF CONJUGATED MOLECULES .9. HYDROCARBON RADICALS AND RADICAL IONS
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
HASHMALL, JA
论文数:
0
引用数:
0
h-index:
0
HASHMALL, JA
VENIER, CG
论文数:
0
引用数:
0
h-index:
0
VENIER, CG
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(08)
: 1953
-
&
[10]
THE STRUCTURE OF THE PHOSPHONITRILIC HALIDES
DEWAR, MJS
论文数:
0
引用数:
0
h-index:
0
DEWAR, MJS
LUCKEN, EAC
论文数:
0
引用数:
0
h-index:
0
LUCKEN, EAC
WHITEHEAD, MA
论文数:
0
引用数:
0
h-index:
0
WHITEHEAD, MA
[J].
JOURNAL OF THE CHEMICAL SOCIETY,
1960,
(JUN):
: 2423
-
2429
←
1
2
3
→