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2ND-ROW MOLECULAR-ORBITAL CALCULATIONS .5. MINIMAL BASIS INDO FOR NA-CL
被引:67
作者
:
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
BJORKE, MD
论文数:
0
引用数:
0
h-index:
0
BJORKE, MD
MARSH, FJ
论文数:
0
引用数:
0
h-index:
0
MARSH, FJ
KORTH, MS
论文数:
0
引用数:
0
h-index:
0
KORTH, MS
机构
:
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1978年
/ 100卷
/ 09期
关键词
:
D O I
:
10.1021/ja00477a017
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:2670 / 2678
页数:9
相关论文
共 20 条
[1]
APPLICATIONS OF INDO METHOD TO SOME RADICALS CONTAINING SECOND ROW ELEMENTS
BENSON, HG
论文数:
0
引用数:
0
h-index:
0
BENSON, HG
HUDSON, A
论文数:
0
引用数:
0
h-index:
0
HUDSON, A
[J].
THEORETICA CHIMICA ACTA,
1971,
23
(03):
: 259
-
&
[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]
DYATKINA ME, 1973, ZH STRUKT KHIM, V14, P173
[4]
LOCALIZED CHARGE DISTRIBUTIONS .1. GENERAL THEORY, ENERGY PARTITIONING, AND INTERNAL ROTATION BARRIER IN ETHANE
ENGLAND, W
论文数:
0
引用数:
0
h-index:
0
ENGLAND, W
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(19)
: 4649
-
&
[5]
DEPENDENCE OF CH3SIH3 BARRIER TO INTERNAL-ROTATION ON VIBRATIONAL COORDINATES - TESTING OF MODELS AND EFFECT OF VIBRATIONS ON OBSERVED BARRIER HEIGHT
EWIG, CS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
EWIG, CS
PALKE, WE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
PALKE, WE
KIRTMAN, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
KIRTMAN, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(07)
: 2749
-
2758
[6]
SECOND ROW MOLECULAR-ORBITAL CALCULATIONS - GEOMETRIES, INTERNAL-ROTATION BARRIERS, AND DIPOLE-MOMENTS OF METHYLSILANE, DISILANE, METHYL MERCAPTAN, AND METHYLPHOSPHINE
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
GORDON, MS
NEUBAUER, L
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
NEUBAUER, L
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(18)
: 5690
-
5693
[7]
APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .6. INDO CALCULATED EQUILIBRIUM GEOMETRIES
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
GORDON, MS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(10)
: 4643
-
&
[8]
2ND-ROW MOLECULAR-ORBITAL CALCULATIONS .2. SEMIEMPIRICAL CALCULATIONS OF DIPOLE-MOMENTS
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
GORDON, MS
RICHARDS, B
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
RICHARDS, B
KORTH, M
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
KORTH, M
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1975,
28
(02)
: 255
-
267
[9]
ON THE NON-ORTHOGONALITY PROBLEM CONNECTED WITH THE USE OF ATOMIC WAVE FUNCTIONS IN THE THEORY OF MOLECULES AND CRYSTALS
LOWDIN, PO
论文数:
0
引用数:
0
h-index:
0
LOWDIN, PO
[J].
JOURNAL OF CHEMICAL PHYSICS,
1950,
18
(03)
: 365
-
375
[10]
2ND ROW MOLECULAR-ORBITAL CALCULATIONS .3. SEMIEMPIRICAL CALCULATIONS OF GEOMETRIES
MARSH, FJ
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
MARSH, FJ
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
GORDON, MS
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1976,
31
(02)
: 345
-
357
←
1
2
→
共 20 条
[1]
APPLICATIONS OF INDO METHOD TO SOME RADICALS CONTAINING SECOND ROW ELEMENTS
BENSON, HG
论文数:
0
引用数:
0
h-index:
0
BENSON, HG
HUDSON, A
论文数:
0
引用数:
0
h-index:
0
HUDSON, A
[J].
THEORETICA CHIMICA ACTA,
1971,
23
(03):
: 259
-
&
[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]
DYATKINA ME, 1973, ZH STRUKT KHIM, V14, P173
[4]
LOCALIZED CHARGE DISTRIBUTIONS .1. GENERAL THEORY, ENERGY PARTITIONING, AND INTERNAL ROTATION BARRIER IN ETHANE
ENGLAND, W
论文数:
0
引用数:
0
h-index:
0
ENGLAND, W
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
GORDON, MS
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1971,
93
(19)
: 4649
-
&
[5]
DEPENDENCE OF CH3SIH3 BARRIER TO INTERNAL-ROTATION ON VIBRATIONAL COORDINATES - TESTING OF MODELS AND EFFECT OF VIBRATIONS ON OBSERVED BARRIER HEIGHT
EWIG, CS
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
EWIG, CS
PALKE, WE
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
PALKE, WE
KIRTMAN, B
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
UNIV CALIF,DEPT CHEM,SANTA BARBARA,CA 93106
KIRTMAN, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1974,
60
(07)
: 2749
-
2758
[6]
SECOND ROW MOLECULAR-ORBITAL CALCULATIONS - GEOMETRIES, INTERNAL-ROTATION BARRIERS, AND DIPOLE-MOMENTS OF METHYLSILANE, DISILANE, METHYL MERCAPTAN, AND METHYLPHOSPHINE
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
GORDON, MS
NEUBAUER, L
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
NEUBAUER, L
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1974,
96
(18)
: 5690
-
5693
[7]
APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .6. INDO CALCULATED EQUILIBRIUM GEOMETRIES
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
GORDON, MS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(10)
: 4643
-
&
[8]
2ND-ROW MOLECULAR-ORBITAL CALCULATIONS .2. SEMIEMPIRICAL CALCULATIONS OF DIPOLE-MOMENTS
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
GORDON, MS
RICHARDS, B
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
RICHARDS, B
KORTH, M
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
KORTH, M
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1975,
28
(02)
: 255
-
267
[9]
ON THE NON-ORTHOGONALITY PROBLEM CONNECTED WITH THE USE OF ATOMIC WAVE FUNCTIONS IN THE THEORY OF MOLECULES AND CRYSTALS
LOWDIN, PO
论文数:
0
引用数:
0
h-index:
0
LOWDIN, PO
[J].
JOURNAL OF CHEMICAL PHYSICS,
1950,
18
(03)
: 365
-
375
[10]
2ND ROW MOLECULAR-ORBITAL CALCULATIONS .3. SEMIEMPIRICAL CALCULATIONS OF GEOMETRIES
MARSH, FJ
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
MARSH, FJ
GORDON, MS
论文数:
0
引用数:
0
h-index:
0
机构:
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
N DAKOTA STATE UNIV,DEPT CHEM,FARGO,ND 58102
GORDON, MS
[J].
JOURNAL OF MOLECULAR STRUCTURE,
1976,
31
(02)
: 345
-
357
←
1
2
→