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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
共 12 条
[1]
CALCULATION OF THE 14N QUADRUPOLE COUPLING CONSTANT IN THE NITRITE ION
BETSUYAK.H
论文数:
0
引用数:
0
h-index:
0
BETSUYAK.H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(07)
: 3117
-
&
[2]
DOUBLE-ZETA LCAO SCF MO CALCULATIONS FOR NO2- AND OF2
BONACCOR.R
论文数:
0
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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
[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
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
[4]
ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
MULLIKEN, RS
论文数:
0
引用数:
0
h-index:
0
MULLIKEN, RS
[J].
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
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(01)
: 407
-
+
[7]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
: S129
-
+
[8]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP
POPLE, JA
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POPLE, JA
SEGAL, GA
论文数:
0
引用数:
0
h-index:
0
SEGAL, GA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
: S136
-
+
[9]
APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(06)
: 2026
-
+
[10]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
: 3289
-
&
←
1
2
→
共 12 条
[1]
CALCULATION OF THE 14N QUADRUPOLE COUPLING CONSTANT IN THE NITRITE ION
BETSUYAK.H
论文数:
0
引用数:
0
h-index:
0
BETSUYAK.H
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
50
(07)
: 3117
-
&
[2]
DOUBLE-ZETA LCAO SCF MO CALCULATIONS FOR NO2- AND OF2
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
[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
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
[4]
ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
MULLIKEN, RS
论文数:
0
引用数:
0
h-index:
0
MULLIKEN, RS
[J].
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
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1968,
48
(01)
: 407
-
+
[7]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .I. INVARIANT PROCEDURES
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
: S129
-
+
[8]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1965,
43
(10)
: S136
-
+
[9]
APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(06)
: 2026
-
+
[10]
APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(09)
: 3289
-
&
←
1
2
→