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ABINITIO STUDIES OF THE STRUCTURES AND ENERGIES OF THE H-(H2O) AND H-(H2O)2 COMPLEXES
被引:54
作者
:
CHALASINSKI, G
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA
UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA
CHALASINSKI, G
[
1
]
KENDALL, RA
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA
UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA
KENDALL, RA
[
1
]
SIMONS, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA
UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA
SIMONS, J
[
1
]
机构
:
[1]
UNIV UTAH, DEPT CHEM, SALT LAKE CITY, UT 84112 USA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1987年
/ 87卷
/ 05期
关键词
:
D O I
:
10.1063/1.453032
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:2965 / 2975
页数:11
相关论文
共 63 条
[1]
ADAMS NPG, UNPUB
[2]
THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR AB-INITIO RESULTS .2. THE GROUND-STATES OF CO, N-2 NO, O-2, AND F2
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
JANKOWSKI, K
论文数:
0
引用数:
0
h-index:
0
JANKOWSKI, K
[J].
CHEMICAL PHYSICS,
1985,
98
(03)
: 381
-
386
[3]
NEGATIVELY CHARGED WATER CLUSTERS, OR THE 1ST OBSERVATION OF FREE HYDRATED ELECTRONS
ARMBRUSTER, M
论文数:
0
引用数:
0
h-index:
0
ARMBRUSTER, M
HABERLAND, H
论文数:
0
引用数:
0
h-index:
0
HABERLAND, H
SCHINDLER, HG
论文数:
0
引用数:
0
h-index:
0
SCHINDLER, HG
[J].
PHYSICAL REVIEW LETTERS,
1981,
47
(05)
: 323
-
326
[4]
HYDRATION OF HALIDE NEGATIVE IONS IN GAS PHASE .2. COMPARISON OF HYDRATION ENERGIES FOR ALKALI POSITIVE AND HALIDE NEGATIVE IONS
ARSHADI, M
论文数:
0
引用数:
0
h-index:
0
ARSHADI, M
YAMDAGNI, R
论文数:
0
引用数:
0
h-index:
0
YAMDAGNI, R
KEBARLE, P
论文数:
0
引用数:
0
h-index:
0
KEBARLE, P
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1970,
74
(07)
: 1475
-
&
[5]
THE IMPACT OF HIGHER POLARIZATION BASIS-SETS ON MOLECULAR ABINITIO RESULTS .3. THE GROUND-STATE OF CL-2 IN COMPARISON WITH OTHER DIATOMICS
BECHERER, R
论文数:
0
引用数:
0
h-index:
0
BECHERER, R
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
[J].
CHEMICAL PHYSICS,
1985,
99
(03)
: 389
-
395
[6]
RATE COEFFICIENTS AT 297 K FOR PROTON-TRANSFER REACTIONS WITH H2O COMPARISONS WITH CLASSICAL THEORIES AND EXOTHERMICITY
BETOWSKI, D
论文数:
0
引用数:
0
h-index:
0
机构:
YORK UNIV, DEPT CHEM, DOWNSVIEW M3J 1P3, ONTARIO, CANADA
BETOWSKI, D
PAYZANT, JD
论文数:
0
引用数:
0
h-index:
0
机构:
YORK UNIV, DEPT CHEM, DOWNSVIEW M3J 1P3, ONTARIO, CANADA
PAYZANT, JD
MACKAY, GI
论文数:
0
引用数:
0
h-index:
0
机构:
YORK UNIV, DEPT CHEM, DOWNSVIEW M3J 1P3, ONTARIO, CANADA
MACKAY, GI
BOHME, DK
论文数:
0
引用数:
0
h-index:
0
机构:
YORK UNIV, DEPT CHEM, DOWNSVIEW M3J 1P3, ONTARIO, CANADA
BOHME, DK
[J].
CHEMICAL PHYSICS LETTERS,
1975,
31
(02)
: 321
-
324
[7]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
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
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
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
[8]
BINKLEY JS, 1983, QCPE
[9]
BINKLEY JS, 1986, GAUSSIAN 82
[10]
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
-
&
←
1
2
3
4
5
6
7
→
共 63 条
[1]
ADAMS NPG, UNPUB
[2]
THE IMPACT OF HIGHER POLARIZATION BASIS FUNCTIONS ON MOLECULAR AB-INITIO RESULTS .2. THE GROUND-STATES OF CO, N-2 NO, O-2, AND F2
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
SCHARF, P
论文数:
0
引用数:
0
h-index:
0
SCHARF, P
JANKOWSKI, K
论文数:
0
引用数:
0
h-index:
0
JANKOWSKI, K
[J].
CHEMICAL PHYSICS,
1985,
98
(03)
: 381
-
386
[3]
NEGATIVELY CHARGED WATER CLUSTERS, OR THE 1ST OBSERVATION OF FREE HYDRATED ELECTRONS
ARMBRUSTER, M
论文数:
0
引用数:
0
h-index:
0
ARMBRUSTER, M
HABERLAND, H
论文数:
0
引用数:
0
h-index:
0
HABERLAND, H
SCHINDLER, HG
论文数:
0
引用数:
0
h-index:
0
SCHINDLER, HG
[J].
PHYSICAL REVIEW LETTERS,
1981,
47
(05)
: 323
-
326
[4]
HYDRATION OF HALIDE NEGATIVE IONS IN GAS PHASE .2. COMPARISON OF HYDRATION ENERGIES FOR ALKALI POSITIVE AND HALIDE NEGATIVE IONS
ARSHADI, M
论文数:
0
引用数:
0
h-index:
0
ARSHADI, M
YAMDAGNI, R
论文数:
0
引用数:
0
h-index:
0
YAMDAGNI, R
KEBARLE, P
论文数:
0
引用数:
0
h-index:
0
KEBARLE, P
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1970,
74
(07)
: 1475
-
&
[5]
THE IMPACT OF HIGHER POLARIZATION BASIS-SETS ON MOLECULAR ABINITIO RESULTS .3. THE GROUND-STATE OF CL-2 IN COMPARISON WITH OTHER DIATOMICS
BECHERER, R
论文数:
0
引用数:
0
h-index:
0
BECHERER, R
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
[J].
CHEMICAL PHYSICS,
1985,
99
(03)
: 389
-
395
[6]
RATE COEFFICIENTS AT 297 K FOR PROTON-TRANSFER REACTIONS WITH H2O COMPARISONS WITH CLASSICAL THEORIES AND EXOTHERMICITY
BETOWSKI, D
论文数:
0
引用数:
0
h-index:
0
机构:
YORK UNIV, DEPT CHEM, DOWNSVIEW M3J 1P3, ONTARIO, CANADA
BETOWSKI, D
PAYZANT, JD
论文数:
0
引用数:
0
h-index:
0
机构:
YORK UNIV, DEPT CHEM, DOWNSVIEW M3J 1P3, ONTARIO, CANADA
PAYZANT, JD
MACKAY, GI
论文数:
0
引用数:
0
h-index:
0
机构:
YORK UNIV, DEPT CHEM, DOWNSVIEW M3J 1P3, ONTARIO, CANADA
MACKAY, GI
BOHME, DK
论文数:
0
引用数:
0
h-index:
0
机构:
YORK UNIV, DEPT CHEM, DOWNSVIEW M3J 1P3, ONTARIO, CANADA
BOHME, DK
[J].
CHEMICAL PHYSICS LETTERS,
1975,
31
(02)
: 321
-
324
[7]
MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES
BINKLEY, JS
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
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
CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
POPLE, JA
[J].
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,
1975,
9
(02)
: 229
-
236
[8]
BINKLEY JS, 1983, QCPE
[9]
BINKLEY JS, 1986, GAUSSIAN 82
[10]
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
-
&
←
1
2
3
4
5
6
7
→