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ON CALCULATIONS OF INTERMOLECULAR POTENTIALS
被引:4
作者
:
BHANUPRAKASH, K
论文数:
0
引用数:
0
h-index:
0
机构:
INDIAN INST SCI,DEPT INORGAN & PHYS CHEM,BANGALORE 560012,KARNATAKA,INDIA
INDIAN INST SCI,DEPT INORGAN & PHYS CHEM,BANGALORE 560012,KARNATAKA,INDIA
BHANUPRAKASH, K
[
1
]
KULKARNI, GV
论文数:
0
引用数:
0
h-index:
0
机构:
INDIAN INST SCI,DEPT INORGAN & PHYS CHEM,BANGALORE 560012,KARNATAKA,INDIA
INDIAN INST SCI,DEPT INORGAN & PHYS CHEM,BANGALORE 560012,KARNATAKA,INDIA
KULKARNI, GV
[
1
]
CHANDRA, AK
论文数:
0
引用数:
0
h-index:
0
机构:
INDIAN INST SCI,DEPT INORGAN & PHYS CHEM,BANGALORE 560012,KARNATAKA,INDIA
INDIAN INST SCI,DEPT INORGAN & PHYS CHEM,BANGALORE 560012,KARNATAKA,INDIA
CHANDRA, AK
[
1
]
机构
:
[1]
INDIAN INST SCI,DEPT INORGAN & PHYS CHEM,BANGALORE 560012,KARNATAKA,INDIA
来源
:
JOURNAL OF COMPUTATIONAL CHEMISTRY
|
1986年
/ 7卷
/ 06期
关键词
:
D O I
:
10.1002/jcc.540070605
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
引用
收藏
页码:731 / 738
页数:8
相关论文
共 27 条
[1]
SOME INDO CALCULATIONS OF PROPERTIES OF MOLECULAR COMPLEXES
CARREIRA, LA
论文数:
0
引用数:
0
h-index:
0
CARREIRA, LA
PERSON, WB
论文数:
0
引用数:
0
h-index:
0
PERSON, WB
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(05)
: 1485
-
&
[2]
TCNE-BENZENE COMPLEX - A CNDO APPROACH
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
WORMER, PES
论文数:
0
引用数:
0
h-index:
0
WORMER, PES
[J].
THEORETICA CHIMICA ACTA,
1971,
20
(03):
: 250
-
&
[3]
CLEMENTI E, 1965, IBM J CALIFORNIA
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[5]
VAPOR-PHASE ELECTRON DONOR-ACCEPTOR COMPLEXES OF TETRACYANOETHYLENE ADN OF SULFUR-DIOXIDE
HANAZAKI, I
论文数:
0
引用数:
0
h-index:
0
HANAZAKI, I
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1972,
76
(14)
: 1982
-
&
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
: 2657
-
+
[7]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2257
-
+
[8]
Hirschfelder J. O., 1954, MOL THEORY GASES LIQ
[9]
MOLECULAR-ORBITAL CALCULATIONS FOR IODINE COMPLEXES - C2H4.I2 AND C6H6.I2
JANO, I
论文数:
0
引用数:
0
h-index:
0
JANO, I
[J].
THEORETICA CHIMICA ACTA,
1985,
66
(06):
: 341
-
353
[10]
MOLECULAR-ORBITAL STUDIES OF ELECTRON DONOR-ACCEPTOR COMPLEXES .2. CARBONYL CYANIDE BENZENE COMPLEX AND DISPERSION ENERGY CONTRIBUTION
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
LATHAN, WA
PACK, GR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
PACK, GR
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(23)
: 6624
-
6628
←
1
2
3
→
共 27 条
[1]
SOME INDO CALCULATIONS OF PROPERTIES OF MOLECULAR COMPLEXES
CARREIRA, LA
论文数:
0
引用数:
0
h-index:
0
CARREIRA, LA
PERSON, WB
论文数:
0
引用数:
0
h-index:
0
PERSON, WB
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(05)
: 1485
-
&
[2]
TCNE-BENZENE COMPLEX - A CNDO APPROACH
CHESNUT, DB
论文数:
0
引用数:
0
h-index:
0
CHESNUT, DB
WORMER, PES
论文数:
0
引用数:
0
h-index:
0
WORMER, PES
[J].
THEORETICA CHIMICA ACTA,
1971,
20
(03):
: 250
-
&
[3]
CLEMENTI E, 1965, IBM J CALIFORNIA
[4]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
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
[J].
JOURNAL OF CHEMICAL PHYSICS,
1971,
54
(02)
: 724
-
+
[5]
VAPOR-PHASE ELECTRON DONOR-ACCEPTOR COMPLEXES OF TETRACYANOETHYLENE ADN OF SULFUR-DIOXIDE
HANAZAKI, I
论文数:
0
引用数:
0
h-index:
0
HANAZAKI, I
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1972,
76
(14)
: 1982
-
&
[6]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .I. USE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
HEHRE, WJ
STEWART, RF
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
STEWART, RF
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
Department of Chemistry, Carnegie-Mellon University, Pittsburgh
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1969,
51
(06)
: 2657
-
+
[7]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
HEHRE, WJ
DITCHFIELD, R
论文数:
0
引用数:
0
h-index:
0
DITCHFIELD, R
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
POPLE, JA
[J].
JOURNAL OF CHEMICAL PHYSICS,
1972,
56
(05)
: 2257
-
+
[8]
Hirschfelder J. O., 1954, MOL THEORY GASES LIQ
[9]
MOLECULAR-ORBITAL CALCULATIONS FOR IODINE COMPLEXES - C2H4.I2 AND C6H6.I2
JANO, I
论文数:
0
引用数:
0
h-index:
0
JANO, I
[J].
THEORETICA CHIMICA ACTA,
1985,
66
(06):
: 341
-
353
[10]
MOLECULAR-ORBITAL STUDIES OF ELECTRON DONOR-ACCEPTOR COMPLEXES .2. CARBONYL CYANIDE BENZENE COMPLEX AND DISPERSION ENERGY CONTRIBUTION
LATHAN, WA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
LATHAN, WA
PACK, GR
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
PACK, GR
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
UNIV ROCHESTER,DEPT CHEM,ROCHESTER,NY 14627
MOROKUMA, K
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(23)
: 6624
-
6628
←
1
2
3
→