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EXTENSIVE THEORETICAL-STUDIES OF THE HYDROGEN-BONDED COMPLEXES (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H-, AND (NH3)2
被引:1108
作者
:
FRISCH, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV, DEPT CHEM, YOUNGSTOWN, OH 44555 USA
FRISCH, MJ
DELBENE, JE
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV, DEPT CHEM, YOUNGSTOWN, OH 44555 USA
DELBENE, JE
BINKLEY, JS
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV, DEPT CHEM, YOUNGSTOWN, OH 44555 USA
BINKLEY, JS
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
YOUNGSTOWN STATE UNIV, DEPT CHEM, YOUNGSTOWN, OH 44555 USA
SCHAEFER, HF
机构
:
[1]
YOUNGSTOWN STATE UNIV, DEPT CHEM, YOUNGSTOWN, OH 44555 USA
[2]
SANDIA NATL LABS, LIVERMORE, CA 94550 USA
[3]
UNIV CALIF BERKELEY, DEPT CHEM, BERKELEY, CA 94720 USA
来源
:
JOURNAL OF CHEMICAL PHYSICS
|
1986年
/ 84卷
/ 04期
关键词
:
D O I
:
10.1063/1.450390
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:2279 / 2289
页数:11
相关论文
共 75 条
[1]
HYDROGEN-BOND STUDIES .71. AB-INITIO CALCULATION OF VIBRATIONAL STRUCTURE AND EQUILIBRIUM GEOMETRY IN HF-2 AND DF-2
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA, INST CHEM, UPPSALA 21, SWEDEN
UNIV UPPSALA, INST CHEM, UPPSALA 21, SWEDEN
ALMLOF, J
[J].
CHEMICAL PHYSICS LETTERS,
1972,
17
(01)
: 49
-
52
[2]
AN INTERMOLECULAR POTENTIAL-ENERGY SURFACE FOR (HF)2
BARTON, AE
论文数:
0
引用数:
0
h-index:
0
BARTON, AE
HOWARD, BJ
论文数:
0
引用数:
0
h-index:
0
HOWARD, BJ
[J].
FARADAY DISCUSSIONS,
1982,
73
: 45
-
62
[3]
DETECTION OF THE HYDRONIUM ION (H3O+) BY HIGH-RESOLUTION INFRARED-SPECTROSCOPY
BEGEMANN, MH
论文数:
0
引用数:
0
h-index:
0
BEGEMANN, MH
GUDEMAN, CS
论文数:
0
引用数:
0
h-index:
0
GUDEMAN, CS
PFAFF, J
论文数:
0
引用数:
0
h-index:
0
PFAFF, J
SAYKALLY, RJ
论文数:
0
引用数:
0
h-index:
0
SAYKALLY, RJ
[J].
PHYSICAL REVIEW LETTERS,
1983,
51
(07)
: 554
-
557
[4]
BINKLEY JS, 1983, INT J QUANTUM CHEM, P331
[5]
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
[6]
BINKLEY JS, UNPUB J CHEM PHYS
[7]
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
-
&
[8]
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
[9]
PROTON AFFINITY OF WATER - A SCALE OF GAS-PHASE BASICITIES INCLUDING ETHYLENE AND WATER FROM ION-CYCLOTRON RESONANCE PROTON-TRANSFER EQUILIBRIA MEASUREMENTS
COLLYER, SM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
COLLYER, SM
MCMAHON, TB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
MCMAHON, TB
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(06)
: 909
-
911
[10]
KINETIC STUDY OF PROTON HYDRATE H+ (H2O)N EQUILIBRIA IN GAS-PHASE
CUNNINGHAM, AJ
论文数:
0
引用数:
0
h-index:
0
CUNNINGHAM, AJ
PAYZANT, JD
论文数:
0
引用数:
0
h-index:
0
PAYZANT, JD
KEBARLE, P
论文数:
0
引用数:
0
h-index:
0
KEBARLE, P
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(22)
: 7627
-
+
←
1
2
3
4
5
6
7
8
→
共 75 条
[1]
HYDROGEN-BOND STUDIES .71. AB-INITIO CALCULATION OF VIBRATIONAL STRUCTURE AND EQUILIBRIUM GEOMETRY IN HF-2 AND DF-2
ALMLOF, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV UPPSALA, INST CHEM, UPPSALA 21, SWEDEN
UNIV UPPSALA, INST CHEM, UPPSALA 21, SWEDEN
ALMLOF, J
[J].
CHEMICAL PHYSICS LETTERS,
1972,
17
(01)
: 49
-
52
[2]
AN INTERMOLECULAR POTENTIAL-ENERGY SURFACE FOR (HF)2
BARTON, AE
论文数:
0
引用数:
0
h-index:
0
BARTON, AE
HOWARD, BJ
论文数:
0
引用数:
0
h-index:
0
HOWARD, BJ
[J].
FARADAY DISCUSSIONS,
1982,
73
: 45
-
62
[3]
DETECTION OF THE HYDRONIUM ION (H3O+) BY HIGH-RESOLUTION INFRARED-SPECTROSCOPY
BEGEMANN, MH
论文数:
0
引用数:
0
h-index:
0
BEGEMANN, MH
GUDEMAN, CS
论文数:
0
引用数:
0
h-index:
0
GUDEMAN, CS
PFAFF, J
论文数:
0
引用数:
0
h-index:
0
PFAFF, J
SAYKALLY, RJ
论文数:
0
引用数:
0
h-index:
0
SAYKALLY, RJ
[J].
PHYSICAL REVIEW LETTERS,
1983,
51
(07)
: 554
-
557
[4]
BINKLEY JS, 1983, INT J QUANTUM CHEM, P331
[5]
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
[6]
BINKLEY JS, UNPUB J CHEM PHYS
[7]
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
-
&
[8]
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
[9]
PROTON AFFINITY OF WATER - A SCALE OF GAS-PHASE BASICITIES INCLUDING ETHYLENE AND WATER FROM ION-CYCLOTRON RESONANCE PROTON-TRANSFER EQUILIBRIA MEASUREMENTS
COLLYER, SM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
COLLYER, SM
MCMAHON, TB
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
UNIV NEW BRUNSWICK,DEPT CHEM,FREDERICTON E3B 6E2,NB,CANADA
MCMAHON, TB
[J].
JOURNAL OF PHYSICAL CHEMISTRY,
1983,
87
(06)
: 909
-
911
[10]
KINETIC STUDY OF PROTON HYDRATE H+ (H2O)N EQUILIBRIA IN GAS-PHASE
CUNNINGHAM, AJ
论文数:
0
引用数:
0
h-index:
0
CUNNINGHAM, AJ
PAYZANT, JD
论文数:
0
引用数:
0
h-index:
0
PAYZANT, JD
KEBARLE, P
论文数:
0
引用数:
0
h-index:
0
KEBARLE, P
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1972,
94
(22)
: 7627
-
+
←
1
2
3
4
5
6
7
8
→