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LOW-ENERGY STRUCTURES AND VIBRATIONAL FREQUENCIES OF THE WATER HEXAMER - COMPARISON WITH BENZENE-(H2O)(6)
被引:273
作者
:
KIM, K
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV,W LAFAYETTE,IN 47907
PURDUE UNIV,W LAFAYETTE,IN 47907
KIM, K
[
1
]
JORDAN, KD
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV,W LAFAYETTE,IN 47907
PURDUE UNIV,W LAFAYETTE,IN 47907
JORDAN, KD
[
1
]
ZWIER, TS
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV,W LAFAYETTE,IN 47907
PURDUE UNIV,W LAFAYETTE,IN 47907
ZWIER, TS
[
1
]
机构
:
[1]
PURDUE UNIV,W LAFAYETTE,IN 47907
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1994年
/ 116卷
/ 25期
关键词
:
D O I
:
10.1021/ja00104a047
中图分类号
:
O6 [化学];
学科分类号
:
0703 ;
摘要
:
[No abstract available]
引用
收藏
页码:11568 / 11569
页数:2
相关论文
共 27 条
[1]
MODEL STUDY OF THE STRUCTURES AND STABILITIES OF BENZENE-(H2O)2-12 COMPLEXES
AUGSPURGER, JD
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0
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PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
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DYKSTRA, CE
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PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
DYKSTRA, CE
ZWIER, TS
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h-index:
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PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
ZWIER, TS
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1993,
97
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: 980
-
984
[2]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
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0
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0
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BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BARTLETT, RJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
: 359
-
401
[3]
GEOMETRIES, ENERGIES, AND ELECTROSTATIC PROPERTIES OF NONADDITIVELY OPTIMIZED SMALL WATER CLUSTERS
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[J].
JOURNAL OF CHEMICAL PHYSICS,
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86
(12)
: 7013
-
7024
[4]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
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BERNARDI, F
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[J].
MOLECULAR PHYSICS,
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19
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: 553
-
&
[5]
EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F
CLARK, T
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0
CLARK, T
CHANDRASEKHAR, J
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0
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0
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0
CHANDRASEKHAR, J
SPITZNAGEL, GW
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0
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0
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SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
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[J].
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1983,
4
(03)
: 294
-
301
[6]
STRUCTURES AND VIBRATIONAL FREQUENCIES OF SMALL WATER COMPLEXES FROM ELECTRICAL MOLECULAR MECHANICS
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论文数:
0
引用数:
0
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[J].
JOURNAL OF CHEMICAL PHYSICS,
1989,
91
(10)
: 6472
-
6476
[7]
MODEL STUDIES OF 6-MEMBERED WATER CLUSTERS
FRANKEN, KA
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0
引用数:
0
h-index:
0
机构:
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
FRANKEN, KA
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0
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h-index:
0
机构:
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
JALAIE, M
DYKSTRA, CE
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0
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INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
DYKSTRA, CE
[J].
CHEMICAL PHYSICS LETTERS,
1992,
198
(1-2)
: 59
-
66
[8]
Frisch M. J, 1992, GAUSSIAN 92
[9]
SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .12. FURTHER EXTENSIONS OF GAUSSIAN-TYPE BASIS SETS FOR USE IN MOLECULAR-ORBITAL STUDIES OF ORGANIC-MOLECULES
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DITCHFIELD, R
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0
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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
-
+
[10]
KENDALL RA, 1992, J CHEM PHYS, V96, P6794
←
1
2
3
→
共 27 条
[1]
MODEL STUDY OF THE STRUCTURES AND STABILITIES OF BENZENE-(H2O)2-12 COMPLEXES
AUGSPURGER, JD
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
AUGSPURGER, JD
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
DYKSTRA, CE
ZWIER, TS
论文数:
0
引用数:
0
h-index:
0
机构:
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907
ZWIER, TS
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1993,
97
(05)
: 980
-
984
[2]
MANY-BODY PERTURBATION-THEORY AND COUPLED CLUSTER THEORY FOR ELECTRON CORRELATION IN MOLECULES
BARTLETT, RJ
论文数:
0
引用数:
0
h-index:
0
机构:
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BATTELLE MEM INST, COLUMBUS, OH 43201 USA
BARTLETT, RJ
[J].
ANNUAL REVIEW OF PHYSICAL CHEMISTRY,
1981,
32
: 359
-
401
[3]
GEOMETRIES, ENERGIES, AND ELECTROSTATIC PROPERTIES OF NONADDITIVELY OPTIMIZED SMALL WATER CLUSTERS
BELFORD, D
论文数:
0
引用数:
0
h-index:
0
BELFORD, D
CAMPBELL, ES
论文数:
0
引用数:
0
h-index:
0
CAMPBELL, ES
[J].
JOURNAL OF CHEMICAL PHYSICS,
1987,
86
(12)
: 7013
-
7024
[4]
CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS
BOYS, SF
论文数:
0
引用数:
0
h-index:
0
BOYS, SF
BERNARDI, F
论文数:
0
引用数:
0
h-index:
0
BERNARDI, F
[J].
MOLECULAR PHYSICS,
1970,
19
(04)
: 553
-
&
[5]
EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F
CLARK, T
论文数:
0
引用数:
0
h-index:
0
CLARK, T
CHANDRASEKHAR, J
论文数:
0
引用数:
0
h-index:
0
CHANDRASEKHAR, J
SPITZNAGEL, GW
论文数:
0
引用数:
0
h-index:
0
SPITZNAGEL, GW
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
SCHLEYER, PV
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1983,
4
(03)
: 294
-
301
[6]
STRUCTURES AND VIBRATIONAL FREQUENCIES OF SMALL WATER COMPLEXES FROM ELECTRICAL MOLECULAR MECHANICS
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
DYKSTRA, CE
[J].
JOURNAL OF CHEMICAL PHYSICS,
1989,
91
(10)
: 6472
-
6476
[7]
MODEL STUDIES OF 6-MEMBERED WATER CLUSTERS
FRANKEN, KA
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
FRANKEN, KA
JALAIE, M
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
JALAIE, M
DYKSTRA, CE
论文数:
0
引用数:
0
h-index:
0
机构:
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
INDIANA UNIV PURDUE UNIV, DEPT CHEM, 1125 E 38TH ST, INDIANAPOLIS, IN 46205 USA
DYKSTRA, CE
[J].
CHEMICAL PHYSICS LETTERS,
1992,
198
(1-2)
: 59
-
66
[8]
Frisch M. J, 1992, GAUSSIAN 92
[9]
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
-
+
[10]
KENDALL RA, 1992, J CHEM PHYS, V96, P6794
←
1
2
3
→