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FORMATION OF HYDROGEN-BONDED VANDERWAALS MOLECULES - APPLICABILITY OF 3-21G INTERMOLECULAR INTERACTION ENERGIES
被引:32
作者
:
HOBZA, P
论文数:
0
引用数:
0
h-index:
0
机构:
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
HOBZA, P
[
1
]
ZAHRADNIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
ZAHRADNIK, R
[
1
]
机构
:
[1]
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
来源
:
CHEMICAL PHYSICS LETTERS
|
1981年
/ 82卷
/ 03期
关键词
:
D O I
:
10.1016/0009-2614(81)85423-1
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:473 / 477
页数:5
相关论文
共 16 条
[1]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
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0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
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: 939
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947
[2]
AB-INITIO CALCULATION OF VIBRATIONAL FORCE-FIELD OF WATER DIMER
CURTISS, LA
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机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
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CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
POPLE, JA
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1975,
55
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: 1
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[3]
MOLECULAR-ORBITAL CALCULATION OF SOME VIBRATIONAL PROPERTIES OF COMPLEX BETWEEN HCN AND HF
CURTISS, LA
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CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
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CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1973,
48
(03)
: 413
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426
[4]
ABINITIO CALCULATION OF FORCE-FIELD OF HYDROGEN-FLUORIDE DIMER
CURTISS, LA
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h-index:
0
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BATTELLE MEM INST,COLUMBUS LABS,COLUMBUS,OH 43201
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,COLUMBUS,OH 43201
POPLE, JA
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
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SYSTEMATIC STUDY OF 9 HYDROGEN-BONDED DIMERS INVOLVING NH3, OH2, AND HF
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POPLE, JA
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COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
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97
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: 7220
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7226
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SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES
DITCHFIELD, R
论文数:
0
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DITCHFIELD, R
HEHRE, WJ
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0
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POPLE, JA
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[J].
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GORDON MS, UNPUBLISHED
[8]
HF-HCL - STATIONARY-POINTS ON THE SCF ENERGY HYPERSURFACE AND THERMODYNAMICS OF FORMATION
HOBZA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
HOBZA, P
SZCZESNIAK, MM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
SZCZESNIAK, MM
LATAJKA, Z
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
LATAJKA, Z
[J].
CHEMICAL PHYSICS LETTERS,
1980,
74
(02)
: 248
-
251
[9]
HOBZA P, 1980, TOP CURR CHEM, V93, P53
[10]
DIMER (HCI)2 - STATIONARY-POINTS ON THE SCF 4-31G ENERGY HYPERSURFACE AND THE ROLE OF ENTROPY IN THE DIMER FORMATION
HOBZA, P
论文数:
0
引用数:
0
h-index:
0
机构:
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
HOBZA, P
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
机构:
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
CARSKY, P
ZAHRADNIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
ZAHRADNIK, R
[J].
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS,
1979,
44
(12)
: 3458
-
3463
←
1
2
→
共 16 条
[1]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
BINKLEY, JS
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
HEHRE, WJ
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
HEHRE, WJ
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1980,
102
(03)
: 939
-
947
[2]
AB-INITIO CALCULATION OF VIBRATIONAL FORCE-FIELD OF WATER DIMER
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
CARNEGIE MELLON UNIV, DEPT CHEM, PITTSBURGH, PA 15213 USA
POPLE, JA
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1975,
55
(1-3)
: 1
-
14
[3]
MOLECULAR-ORBITAL CALCULATION OF SOME VIBRATIONAL PROPERTIES OF COMPLEX BETWEEN HCN AND HF
CURTISS, LA
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
CURTISS, LA
POPLE, JA
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
POPLE, JA
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1973,
48
(03)
: 413
-
426
[4]
ABINITIO CALCULATION OF FORCE-FIELD OF HYDROGEN-FLUORIDE DIMER
CURTISS, LA
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,COLUMBUS,OH 43201
CURTISS, LA
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST,COLUMBUS LABS,COLUMBUS,OH 43201
POPLE, JA
[J].
JOURNAL OF MOLECULAR SPECTROSCOPY,
1976,
61
(01)
: 1
-
10
[5]
SYSTEMATIC STUDY OF 9 HYDROGEN-BONDED DIMERS INVOLVING NH3, OH2, AND HF
DILL, JD
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
DILL, JD
ALLEN, LC
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
ALLEN, LC
TOPP, WC
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
TOPP, WC
POPLE, JA
论文数:
0
引用数:
0
h-index:
0
机构:
COLD SPRING HARBOR LAB, COLD SPRING HARBOR, NY 11724 USA
POPLE, JA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1975,
97
(25)
: 7220
-
7226
[6]
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
-
+
[7]
GORDON MS, UNPUBLISHED
[8]
HF-HCL - STATIONARY-POINTS ON THE SCF ENERGY HYPERSURFACE AND THERMODYNAMICS OF FORMATION
HOBZA, P
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
HOBZA, P
SZCZESNIAK, MM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
SZCZESNIAK, MM
LATAJKA, Z
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
UNIV WROCLAW, INST CHEM, PL-50383 WROCLAW, POLAND
LATAJKA, Z
[J].
CHEMICAL PHYSICS LETTERS,
1980,
74
(02)
: 248
-
251
[9]
HOBZA P, 1980, TOP CURR CHEM, V93, P53
[10]
DIMER (HCI)2 - STATIONARY-POINTS ON THE SCF 4-31G ENERGY HYPERSURFACE AND THE ROLE OF ENTROPY IN THE DIMER FORMATION
HOBZA, P
论文数:
0
引用数:
0
h-index:
0
机构:
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
HOBZA, P
CARSKY, P
论文数:
0
引用数:
0
h-index:
0
机构:
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
CARSKY, P
ZAHRADNIK, R
论文数:
0
引用数:
0
h-index:
0
机构:
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
CZECHOSLOVAK ACAD SCI, J HEYROVSKY INST PHYS CHEM & ELECTROCHEM, CS-12138 PRAGUE 2, CZECHOSLOVAKIA
ZAHRADNIK, R
[J].
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS,
1979,
44
(12)
: 3458
-
3463
←
1
2
→