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ELECTRONIC-STRUCTURE OF PYRAZINE - VALENCE BOND MODEL FOR LONE PAIR INTERACTIONS
被引:68
作者
:
WADT, WR
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
WADT, WR
[
1
]
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
GODDARD, WA
[
1
]
机构
:
[1]
CALTECH,ARTHUR AMOS NOYES LAB CHEM PHYS,PASADENA,CA 91109
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1975年
/ 97卷
/ 08期
关键词
:
D O I
:
10.1021/ja00841a008
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:2034 / 2047
页数:14
相关论文
共 53 条
[21]
ON RELATIVE IMPORTANCE OF THROUGH-SPACE VS THROUGH-BOND INTERACTION BETWEEN LONE PAIRS IN 1,4-DIAZABICYCLO[2.2.2]OCTANE
HEILBRONNER, E
论文数:
0
引用数:
0
h-index:
0
HEILBRONNER, E
MUSZKAT, KA
论文数:
0
引用数:
0
h-index:
0
MUSZKAT, KA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(12)
: 3818
-
+
[22]
PERTURBATIONS BETWEEN ELECTRONIC STATES IN AROMATIC AND HETEROAROMATIC MOLECULES
HOCHSTRA.RM
论文数:
0
引用数:
0
h-index:
0
HOCHSTRA.RM
MARZZACC.C
论文数:
0
引用数:
0
h-index:
0
MARZZACC.C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(03)
: 971
-
&
[23]
INTERACTION OF ORBITALS THROUGH SPACE AND THROUGH BONDS
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1971,
4
(01)
: 1
-
&
[24]
BENZYNES DEHYDROCONJUGATED MOLECULES AND INTERACTION OF ORBITALS SEPARATED BY A NUMBER OF INTERVENING SIGMA BONDS
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
IMAMURA, A
论文数:
0
引用数:
0
h-index:
0
IMAMURA, A
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(06)
: 1499
-
&
[25]
LOWEST SINGLET AND TRIPLET EXCITED-STATES OF PYRAZINE
HONG, HK
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91109 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91109 USA
HONG, HK
ROBINSON, GW
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91109 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91109 USA
ROBINSON, GW
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1974,
52
(01)
: 1
-
20
[26]
VALENCE BOND AUFBAU PRINCIPLE FOR MOLECULAR EXCITED-STATES
HUESTIS, DL
论文数:
0
引用数:
0
h-index:
0
HUESTIS, DL
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
[J].
CHEMICAL PHYSICS LETTERS,
1972,
16
(01)
: 157
-
&
[27]
Hunt WJ, 1969, CHEM PHYS LETT, V3, P414, DOI 10.1016/0009-2614(69)80154-5
[28]
The incorporation of quadratic convergence into open-shell self-consistent field equations
Hunt, William J.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Hunt, William J.
Goddard, William A., III
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Goddard, William A., III
Dunning, Thom. H., Jr.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Dunning, Thom. H., Jr.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
6
(03)
: 147
-
151
[29]
APPROXIMATE ATOMIC WAVEFUNCTIONS
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
MCWILLIAMS, D
论文数:
0
引用数:
0
h-index:
0
MCWILLIAMS, D
DOMSKY, B
论文数:
0
引用数:
0
h-index:
0
DOMSKY, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(05)
: 2283
-
+
[30]
ELECTRONIC STATES OF AZABENZENES - A CRITICAL REVIEW
INNES, KK
论文数:
0
引用数:
0
h-index:
0
INNES, KK
BYRNE, JP
论文数:
0
引用数:
0
h-index:
0
BYRNE, JP
ROSS, IG
论文数:
0
引用数:
0
h-index:
0
ROSS, IG
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1967,
22
(02)
: 125
-
&
←
1
2
3
4
5
6
→
共 53 条
[21]
ON RELATIVE IMPORTANCE OF THROUGH-SPACE VS THROUGH-BOND INTERACTION BETWEEN LONE PAIRS IN 1,4-DIAZABICYCLO[2.2.2]OCTANE
HEILBRONNER, E
论文数:
0
引用数:
0
h-index:
0
HEILBRONNER, E
MUSZKAT, KA
论文数:
0
引用数:
0
h-index:
0
MUSZKAT, KA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1970,
92
(12)
: 3818
-
+
[22]
PERTURBATIONS BETWEEN ELECTRONIC STATES IN AROMATIC AND HETEROAROMATIC MOLECULES
HOCHSTRA.RM
论文数:
0
引用数:
0
h-index:
0
HOCHSTRA.RM
MARZZACC.C
论文数:
0
引用数:
0
h-index:
0
MARZZACC.C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(03)
: 971
-
&
[23]
INTERACTION OF ORBITALS THROUGH SPACE AND THROUGH BONDS
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
[J].
ACCOUNTS OF CHEMICAL RESEARCH,
1971,
4
(01)
: 1
-
&
[24]
BENZYNES DEHYDROCONJUGATED MOLECULES AND INTERACTION OF ORBITALS SEPARATED BY A NUMBER OF INTERVENING SIGMA BONDS
HOFFMANN, R
论文数:
0
引用数:
0
h-index:
0
HOFFMANN, R
IMAMURA, A
论文数:
0
引用数:
0
h-index:
0
IMAMURA, A
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1968,
90
(06)
: 1499
-
&
[25]
LOWEST SINGLET AND TRIPLET EXCITED-STATES OF PYRAZINE
HONG, HK
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91109 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91109 USA
HONG, HK
ROBINSON, GW
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91109 USA
CALTECH, ARTHUR AMOS NOYES LAB CHEM PHYS, PASADENA, CA 91109 USA
ROBINSON, GW
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1974,
52
(01)
: 1
-
20
[26]
VALENCE BOND AUFBAU PRINCIPLE FOR MOLECULAR EXCITED-STATES
HUESTIS, DL
论文数:
0
引用数:
0
h-index:
0
HUESTIS, DL
GODDARD, WA
论文数:
0
引用数:
0
h-index:
0
GODDARD, WA
[J].
CHEMICAL PHYSICS LETTERS,
1972,
16
(01)
: 157
-
&
[27]
Hunt WJ, 1969, CHEM PHYS LETT, V3, P414, DOI 10.1016/0009-2614(69)80154-5
[28]
The incorporation of quadratic convergence into open-shell self-consistent field equations
Hunt, William J.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Hunt, William J.
Goddard, William A., III
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Goddard, William A., III
Dunning, Thom. H., Jr.
论文数:
0
引用数:
0
h-index:
0
机构:
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA
Dunning, Thom. H., Jr.
[J].
CHEMICAL PHYSICS LETTERS,
1970,
6
(03)
: 147
-
151
[29]
APPROXIMATE ATOMIC WAVEFUNCTIONS
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
MCWILLIAMS, D
论文数:
0
引用数:
0
h-index:
0
MCWILLIAMS, D
DOMSKY, B
论文数:
0
引用数:
0
h-index:
0
DOMSKY, B
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(05)
: 2283
-
+
[30]
ELECTRONIC STATES OF AZABENZENES - A CRITICAL REVIEW
INNES, KK
论文数:
0
引用数:
0
h-index:
0
INNES, KK
BYRNE, JP
论文数:
0
引用数:
0
h-index:
0
BYRNE, JP
ROSS, IG
论文数:
0
引用数:
0
h-index:
0
ROSS, IG
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1967,
22
(02)
: 125
-
&
←
1
2
3
4
5
6
→