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CALCULATION OF THE CHARGE DISTRIBUTION AND ORBITAL ENERGIES OF THE GROUND STATE OF THE NITRITE ION BY THE CND0 METHOD
被引:9
作者
:
BETSUYAKU, H
论文数:
0
引用数:
0
h-index:
0
BETSUYAKU, H
机构
:
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1969年
/ 50卷
/ 07期
关键词
:
D O I
:
10.1063/1.1671518
中图分类号
:
O64 [物理化学(理论化学)、化学物理学];
学科分类号
:
070304 ;
081704 ;
摘要
:
引用
收藏
页码:3118 / +
页数:1
相关论文
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[1]
CALCULATION OF THE 14N QUADRUPOLE COUPLING CONSTANT IN THE NITRITE ION
[J].
BETSUYAK.H
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0
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BETSUYAK.H
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JOURNAL OF CHEMICAL PHYSICS,
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[2]
DOUBLE-ZETA LCAO SCF MO CALCULATIONS FOR NO2- AND OF2
[J].
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PETRONGO.C
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TOMASI, J
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TOMASI, J
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JOURNAL OF CHEMICAL PHYSICS,
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[3]
ON THE NON-ORTHOGONALITY PROBLEM CONNECTED WITH THE USE OF ATOMIC WAVE FUNCTIONS IN THE THEORY OF MOLECULES AND CRYSTALS
[J].
LOWDIN, PO
论文数:
0
引用数:
0
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LOWDIN, PO
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JOURNAL OF CHEMICAL PHYSICS,
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:365
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[4]
ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
[J].
MULLIKEN, RS
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JOURNAL OF CHEMICAL PHYSICS,
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:1833
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[5]
Pauling L., 1960, NATURE CHEM BOND, P350
[6]
MINIMAL-BASIS-SET LCAO-SCF-MO CALCULATIONS FOR GROUND STATE OF O3 NO2- NOF AND OF2 MOLECULES
[J].
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0
PETRONGOLO, C
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SCROCCO, E
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SCROCCO, E
;
TOMASI, J
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TOMASI, J
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JOURNAL OF CHEMICAL PHYSICS,
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:407
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[7]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES
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POPLE, JA
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POPLE, JA
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SANTRY, DP
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SANTRY, DP
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SEGAL, GA
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SEGAL, GA
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APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP
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APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP
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POPLE, JA
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[10]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
[J].
POPLE, JA
论文数:
0
引用数:
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h-index:
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POPLE, JA
;
SEGAL, GA
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SEGAL, GA
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JOURNAL OF CHEMICAL PHYSICS,
1966,
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(09)
:3289
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←
1
2
→
共 12 条
[1]
CALCULATION OF THE 14N QUADRUPOLE COUPLING CONSTANT IN THE NITRITE ION
[J].
BETSUYAK.H
论文数:
0
引用数:
0
h-index:
0
BETSUYAK.H
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(07)
:3117
-&
[2]
DOUBLE-ZETA LCAO SCF MO CALCULATIONS FOR NO2- AND OF2
[J].
BONACCOR.R
论文数:
0
引用数:
0
h-index:
0
BONACCOR.R
;
PETRONGO.C
论文数:
0
引用数:
0
h-index:
0
PETRONGO.C
;
SCROCCO, E
论文数:
0
引用数:
0
h-index:
0
SCROCCO, E
;
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
TOMASI, J
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(04)
:1497
-&
[3]
ON THE NON-ORTHOGONALITY PROBLEM CONNECTED WITH THE USE OF ATOMIC WAVE FUNCTIONS IN THE THEORY OF MOLECULES AND CRYSTALS
[J].
LOWDIN, PO
论文数:
0
引用数:
0
h-index:
0
LOWDIN, PO
.
JOURNAL OF CHEMICAL PHYSICS,
1950,
18
(03)
:365
-375
[4]
ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
[J].
MULLIKEN, RS
论文数:
0
引用数:
0
h-index:
0
MULLIKEN, RS
.
JOURNAL OF CHEMICAL PHYSICS,
1955,
23
(10)
:1833
-1840
[5]
Pauling L., 1960, NATURE CHEM BOND, P350
[6]
MINIMAL-BASIS-SET LCAO-SCF-MO CALCULATIONS FOR GROUND STATE OF O3 NO2- NOF AND OF2 MOLECULES
[J].
PETRONGOLO, C
论文数:
0
引用数:
0
h-index:
0
PETRONGOLO, C
;
SCROCCO, E
论文数:
0
引用数:
0
h-index:
0
SCROCCO, E
;
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
TOMASI, J
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(01)
:407
-+
[7]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES
[J].
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
;
SANTRY, DP
论文数:
0
引用数:
0
h-index:
0
SANTRY, DP
;
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
:S129
-+
[8]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP
[J].
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
;
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
.
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
:S136
-+
[9]
APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP
[J].
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
;
BEVERIDGE, DL
论文数:
0
引用数:
0
h-index:
0
BEVERIDGE, DL
;
DOBOSH, PA
论文数:
0
引用数:
0
h-index:
0
DOBOSH, PA
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(06)
:2026
-+
[10]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
[J].
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
;
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
.
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
:3289
-&
←
1
2
→