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COMPARISON OF VARIOUS CI TREATMENTS FOR DESCRIPTION OF POTENTIAL CURVES FOR LOWEST 3 STATES OF O2
被引:40
作者
:
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
机构
:
来源
:
CHEMICAL PHYSICS LETTERS
|
1972年
/ 16卷
/ 02期
关键词
:
D O I
:
10.1016/0009-2614(72)80263-X
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:235 / +
页数:1
相关论文
共 23 条
[1]
NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE
BENDER, CF
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引用数:
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BENDER, CF
DAVIDSON, ER
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0
引用数:
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h-index:
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DAVIDSON, ER
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1966,
70
(08)
: 2675
-
&
[2]
COMBINED SCF AND CI CALCULATIONS FOR LOW-LYING RYDBERG AND VALENCE EXCITED STATES OF ETHYLENE
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KAMMER, WE
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KAMMER, WE
[J].
JOURNAL OF CHEMICAL PHYSICS,
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[3]
COMBINED SCF AND CI METHOD FOR CALCULATION OF ELECTRONICALLY EXCITED STATES MOLECULES - POTENTIAL CURVES FOR LOW-LYING STATES OF FORMALDEHYDE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
[J].
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53
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: 1368
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+
[4]
BUENKER RJ, TO BE PUBLISHED
[5]
Ab initio calculations on large molecules using molecular fragments. Preliminary investigations
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Univ Kansas, Dept Chem, Lawrence, KS 66044 USA
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Univ Kansas, Dept Chem, Lawrence, KS 66044 USA
Univ Kansas, Dept Chem, Lawrence, KS 66044 USA
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: 419
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[6]
OPTIMIZED VALENCE CONFIGURATIONS AND F2 MOLECULE
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[J].
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[7]
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FOUGERE, PF
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FOUGERE, PF
NESBET, RK
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NESBET, RK
[J].
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1966,
44
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: 285
-
&
[8]
FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .I. COMPUTATIONAL PROCEDURE . LIH AS AN EXAMPLE
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FROST, AA
[J].
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HERZBERG G, 1966, MOLECULAR SPECTRA MO, V1, P560
[10]
VIRTUAL ORBITALS IN HARTREE-FOCK THEORY .2.
HUZINAGA, S
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HUZINAGA, S
ARNAU, C
论文数:
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引用数:
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ARNAU, C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(05)
: 1948
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&
←
1
2
3
→
共 23 条
[1]
NATURAL ORBITAL BASED ENERGY CALCULATION FOR HELIUM HYDRIDE AND LITHIUM HYDRIDE
BENDER, CF
论文数:
0
引用数:
0
h-index:
0
BENDER, CF
DAVIDSON, ER
论文数:
0
引用数:
0
h-index:
0
DAVIDSON, ER
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1966,
70
(08)
: 2675
-
&
[2]
COMBINED SCF AND CI CALCULATIONS FOR LOW-LYING RYDBERG AND VALENCE EXCITED STATES OF ETHYLENE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
KAMMER, WE
论文数:
0
引用数:
0
h-index:
0
KAMMER, WE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
55
(02)
: 814
-
+
[3]
COMBINED SCF AND CI METHOD FOR CALCULATION OF ELECTRONICALLY EXCITED STATES MOLECULES - POTENTIAL CURVES FOR LOW-LYING STATES OF FORMALDEHYDE
BUENKER, RJ
论文数:
0
引用数:
0
h-index:
0
BUENKER, RJ
PEYERIMHOFF, SD
论文数:
0
引用数:
0
h-index:
0
PEYERIMHOFF, SD
[J].
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(04)
: 1368
-
+
[4]
BUENKER RJ, TO BE PUBLISHED
[5]
Ab initio calculations on large molecules using molecular fragments. Preliminary investigations
Christoffersen, Ralph E.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Kansas, Dept Chem, Lawrence, KS 66044 USA
Univ Kansas, Dept Chem, Lawrence, KS 66044 USA
Christoffersen, Ralph E.
Maggiora, Gerald M.
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Kansas, Dept Chem, Lawrence, KS 66044 USA
Univ Kansas, Dept Chem, Lawrence, KS 66044 USA
Maggiora, Gerald M.
[J].
CHEMICAL PHYSICS LETTERS,
1969,
3
(06)
: 419
-
423
[6]
OPTIMIZED VALENCE CONFIGURATIONS AND F2 MOLECULE
DAS, G
论文数:
0
引用数:
0
h-index:
0
DAS, G
WAHL, AC
论文数:
0
引用数:
0
h-index:
0
WAHL, AC
[J].
PHYSICAL REVIEW LETTERS,
1970,
24
(09)
: 440
-
&
[7]
ELECTRONIC STRUCTURE OF C2
FOUGERE, PF
论文数:
0
引用数:
0
h-index:
0
FOUGERE, PF
NESBET, RK
论文数:
0
引用数:
0
h-index:
0
NESBET, RK
[J].
JOURNAL OF CHEMICAL PHYSICS,
1966,
44
(01)
: 285
-
&
[8]
FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .I. COMPUTATIONAL PROCEDURE . LIH AS AN EXAMPLE
FROST, AA
论文数:
0
引用数:
0
h-index:
0
FROST, AA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(10)
: 3707
-
&
[9]
HERZBERG G, 1966, MOLECULAR SPECTRA MO, V1, P560
[10]
VIRTUAL ORBITALS IN HARTREE-FOCK THEORY .2.
HUZINAGA, S
论文数:
0
引用数:
0
h-index:
0
HUZINAGA, S
ARNAU, C
论文数:
0
引用数:
0
h-index:
0
ARNAU, C
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(05)
: 1948
-
&
←
1
2
3
→