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THEORY OF MOLECULAR-INTERACTIONS .3. COMPARISON OF STUDIES OF H2O POLYMERS USING DIFFERENT MOLECULAR-ORBITAL BASIS SETS
被引:146
作者
:
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
DELBENE, JE
[
1
]
论文数:
引用数:
h-index:
机构:
POPLE, JA
[
1
]
机构
:
[1]
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1973年
/ 58卷
/ 09期
关键词
:
D O I
:
10.1063/1.1679707
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
[物理化学]
;
081704
[应用化学]
;
摘要
:
引用
收藏
页码:3605 / 3608
页数:4
相关论文
共 13 条
[1]
THEORY OF MOLECULAR INTERACTIONS .1. MOLECULAR ORBITAL STUDIES OF WATER POLYMERS USING A MINIMAL SLATER-TYPE BASIS
[J].
DELBENE, J
论文数:
0
引用数:
0
h-index:
0
DELBENE, J
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(09)
:4858
-+
[2]
DELBENE JE, 1971, J CHEM PHYS, V55, P2296, DOI 10.1063/1.1676408
[3]
SCF MO LCGO studies on hydrogen bonding. The water dimer
[J].
Dierckssen, Geerd H. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Phys & Astrophys, D-8 Munich 23, Germany
Max Planck Inst Phys & Astrophys, D-8 Munich 23, Germany
Dierckssen, Geerd H. F.
.
CHEMICAL PHYSICS LETTERS,
1969,
4
(06)
:373
-375
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[5]
SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(10)
:5001
-+
[6]
WATER MOLECULE INTERACTIONS
[J].
HANKINS, D
论文数:
0
引用数:
0
h-index:
0
HANKINS, D
;
MOSKOWITZ, JW
论文数:
0
引用数:
0
h-index:
0
MOSKOWITZ, JW
;
STILLINGER, FH
论文数:
0
引用数:
0
h-index:
0
STILLINGER, FH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(12)
:4544
-+
[7]
THEORY OF HYDROGEN BOND - ELECTRONIC STRUCTURE AND PROPERTIES OF WATER DIMER
[J].
KOLLMAN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Princeton University, Princeton
KOLLMAN, PA
;
论文数:
引用数:
h-index:
机构:
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(08)
:3286
-&
[8]
THEORY OF HYDROGEN BOND - AB-INITIO CALCULATIONS ON HYDROGEN FLUORIDE DIMER AND MIXED WATER-HYDROGEN FLUORIDE DIMER
[J].
KOLLMAN, PA
论文数:
0
引用数:
0
h-index:
0
KOLLMAN, PA
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(10)
:5085
-&
[9]
KOLLMANN PA, 1970, J AM CHEM SOC, V92, P4108
[10]
MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS - DIMERIC H20 WITH SLATER MINIMAL BASIS SET
[J].
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
MOROKUMA, K
;
WINICK, JR
论文数:
0
引用数:
0
h-index:
0
WINICK, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(03)
:1301
-&
←
1
2
→
共 13 条
[1]
THEORY OF MOLECULAR INTERACTIONS .1. MOLECULAR ORBITAL STUDIES OF WATER POLYMERS USING A MINIMAL SLATER-TYPE BASIS
[J].
DELBENE, J
论文数:
0
引用数:
0
h-index:
0
DELBENE, J
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(09)
:4858
-+
[2]
DELBENE JE, 1971, J CHEM PHYS, V55, P2296, DOI 10.1063/1.1676408
[3]
SCF MO LCGO studies on hydrogen bonding. The water dimer
[J].
Dierckssen, Geerd H. F.
论文数:
0
引用数:
0
h-index:
0
机构:
Max Planck Inst Phys & Astrophys, D-8 Munich 23, Germany
Max Planck Inst Phys & Astrophys, D-8 Munich 23, Germany
Dierckssen, Geerd H. F.
.
CHEMICAL PHYSICS LETTERS,
1969,
4
(06)
:373
-375
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
:724
-+
[5]
SELF-CONSISTENT MOLECULAR ORBITAL METHODS .6. ENERGY OPTIMIZED GAUSSIAN ATOMIC ORBITALS
[J].
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
;
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
;
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(10)
:5001
-+
[6]
WATER MOLECULE INTERACTIONS
[J].
HANKINS, D
论文数:
0
引用数:
0
h-index:
0
HANKINS, D
;
MOSKOWITZ, JW
论文数:
0
引用数:
0
h-index:
0
MOSKOWITZ, JW
;
STILLINGER, FH
论文数:
0
引用数:
0
h-index:
0
STILLINGER, FH
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
53
(12)
:4544
-+
[7]
THEORY OF HYDROGEN BOND - ELECTRONIC STRUCTURE AND PROPERTIES OF WATER DIMER
[J].
KOLLMAN, PA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Princeton University, Princeton
KOLLMAN, PA
;
论文数:
引用数:
h-index:
机构:
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(08)
:3286
-&
[8]
THEORY OF HYDROGEN BOND - AB-INITIO CALCULATIONS ON HYDROGEN FLUORIDE DIMER AND MIXED WATER-HYDROGEN FLUORIDE DIMER
[J].
KOLLMAN, PA
论文数:
0
引用数:
0
h-index:
0
KOLLMAN, PA
;
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
ALLEN, LC
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(10)
:5085
-&
[9]
KOLLMANN PA, 1970, J AM CHEM SOC, V92, P4108
[10]
MOLECULAR ORBITAL STUDIES OF HYDROGEN BONDS - DIMERIC H20 WITH SLATER MINIMAL BASIS SET
[J].
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
MOROKUMA, K
;
WINICK, JR
论文数:
0
引用数:
0
h-index:
0
WINICK, JR
.
JOURNAL OF CHEMICAL PHYSICS,
1970,
52
(03)
:1301
-&
←
1
2
→