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AB-INITIO MOLECULAR-ORBITAL STUDY OF THE MECHANISM OF THE GAS-PHASE REACTION SO3+H2O - IMPORTANCE OF THE 2ND WATER MOLECULE
被引:264
作者
:
MOROKUMA, K
论文数:
0
引用数:
0
h-index:
0
机构:
EMORY UNIV, DEPT CHEM, ATLANTA, GA 30322 USA
MOROKUMA, K
MUGURUMA, C
论文数:
0
引用数:
0
h-index:
0
机构:
EMORY UNIV, DEPT CHEM, ATLANTA, GA 30322 USA
MUGURUMA, C
机构
:
[1]
EMORY UNIV, DEPT CHEM, ATLANTA, GA 30322 USA
[2]
GRAD UNIV ADV STUDIES, DEPT STRUCT MOLEC SCI, OKAZAKI, AICHI 444, JAPAN
来源
:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
|
1994年
/ 116卷
/ 22期
关键词
:
D O I
:
10.1021/ja00101a068
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:10316 / 10317
页数:2
相关论文
共 16 条
[1]
BERTRAN J, 1985, J MOL STRUCT, V123, P221
[2]
CASTLEMAN AW, 1975, INT J CHEM KINET, V1, P629
[3]
CHEN TS, 1985, J PHYS CHEM-US, V89, P2231
[4]
FRISH MJ, 1992, GAUSSIAN 92
[5]
ACID-RAIN - AB-INITIO INVESTIGATION OF THE H2O-CENTER-DOT-SO3 COMPLEX AND ITS CONVERSION INTO H2SO4
HOFMANN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, CTR COMP CHEM, D-91054 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, CTR COMP CHEM, D-91054 ERLANGEN, GERMANY
HOFMANN, M
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, CTR COMP CHEM, D-91054 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, CTR COMP CHEM, D-91054 ERLANGEN, GERMANY
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1994,
116
(11)
: 4947
-
4952
[6]
GAS-PHASE COMPLEXES - CONSIDERATIONS OF STABILITY OF CLUSTERS IN SULFUR TRIOXIDE WATER SYSTEM
HOLLAND, PM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,CHEM PHYS LAB,BOULDER,CO 80309
UNIV COLORADO,CHEM PHYS LAB,BOULDER,CO 80309
HOLLAND, PM
CASTLEMAN, AW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,CHEM PHYS LAB,BOULDER,CO 80309
UNIV COLORADO,CHEM PHYS LAB,BOULDER,CO 80309
CASTLEMAN, AW
[J].
CHEMICAL PHYSICS LETTERS,
1978,
56
(03)
: 511
-
514
[7]
GAS-PHASE REACTION OF SULFUR-TRIOXIDE WITH WATER-VAPOR
KOLB, CE
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
KOLB, CE
JAYNE, JT
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
JAYNE, JT
WORSNOP, DR
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
WORSNOP, DR
MOLINA, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
MOLINA, MJ
MEADS, RF
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
MEADS, RF
VIGGIANO, AA
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
VIGGIANO, AA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1994,
116
(22)
: 10314
-
10315
[8]
LLEDOS A, 1984, J MOL STRUC-THEOCHEM, V107, P233
[9]
ISOMERIZATION OF PO3-CENTER-DOT(H2O)(N) CLUSTERS TO H2PO4-CENTER-DOT(H2O)(N-1) - TRANSITION-STATES AND BARRIER HEIGHTS
MA, BY
论文数:
0
引用数:
0
h-index:
0
机构:
Center for Computational Quantum Chemistry, The University of Georgia, Athens
MA, BY
XIE, YM
论文数:
0
引用数:
0
h-index:
0
机构:
Center for Computational Quantum Chemistry, The University of Georgia, Athens
XIE, YM
SHEN, MZ
论文数:
0
引用数:
0
h-index:
0
机构:
Center for Computational Quantum Chemistry, The University of Georgia, Athens
SHEN, MZ
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
Center for Computational Quantum Chemistry, The University of Georgia, Athens
SCHLEYER, PV
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Center for Computational Quantum Chemistry, The University of Georgia, Athens
SCHAEFER, HF
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1993,
115
(24)
: 11169
-
11179
[10]
A THEORETICAL-STUDY OF THE FORMATION OF CARBONIC-ACID FROM THE HYDRATION OF CARBON-DIOXIDE - A CASE OF ACTIVE SOLVENT CATALYSIS
NGUYEN, MT
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,CH-8092 ZURICH,SWITZERLAND
NGUYEN, MT
HA, TK
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,CH-8092 ZURICH,SWITZERLAND
HA, TK
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(03)
: 599
-
602
←
1
2
→
共 16 条
[1]
BERTRAN J, 1985, J MOL STRUCT, V123, P221
[2]
CASTLEMAN AW, 1975, INT J CHEM KINET, V1, P629
[3]
CHEN TS, 1985, J PHYS CHEM-US, V89, P2231
[4]
FRISH MJ, 1992, GAUSSIAN 92
[5]
ACID-RAIN - AB-INITIO INVESTIGATION OF THE H2O-CENTER-DOT-SO3 COMPLEX AND ITS CONVERSION INTO H2SO4
HOFMANN, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, CTR COMP CHEM, D-91054 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, CTR COMP CHEM, D-91054 ERLANGEN, GERMANY
HOFMANN, M
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, CTR COMP CHEM, D-91054 ERLANGEN, GERMANY
UNIV ERLANGEN NURNBERG, INST ORGAN CHEM, CTR COMP CHEM, D-91054 ERLANGEN, GERMANY
SCHLEYER, PV
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1994,
116
(11)
: 4947
-
4952
[6]
GAS-PHASE COMPLEXES - CONSIDERATIONS OF STABILITY OF CLUSTERS IN SULFUR TRIOXIDE WATER SYSTEM
HOLLAND, PM
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,CHEM PHYS LAB,BOULDER,CO 80309
UNIV COLORADO,CHEM PHYS LAB,BOULDER,CO 80309
HOLLAND, PM
CASTLEMAN, AW
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV COLORADO,CHEM PHYS LAB,BOULDER,CO 80309
UNIV COLORADO,CHEM PHYS LAB,BOULDER,CO 80309
CASTLEMAN, AW
[J].
CHEMICAL PHYSICS LETTERS,
1978,
56
(03)
: 511
-
514
[7]
GAS-PHASE REACTION OF SULFUR-TRIOXIDE WITH WATER-VAPOR
KOLB, CE
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
KOLB, CE
JAYNE, JT
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
JAYNE, JT
WORSNOP, DR
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
WORSNOP, DR
MOLINA, MJ
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
MOLINA, MJ
MEADS, RF
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
MEADS, RF
VIGGIANO, AA
论文数:
0
引用数:
0
h-index:
0
机构:
MIT,DEPT EARTH ATMOSPHER & PLANETARY SCI,CAMBRIDGE,MA 02139
VIGGIANO, AA
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1994,
116
(22)
: 10314
-
10315
[8]
LLEDOS A, 1984, J MOL STRUC-THEOCHEM, V107, P233
[9]
ISOMERIZATION OF PO3-CENTER-DOT(H2O)(N) CLUSTERS TO H2PO4-CENTER-DOT(H2O)(N-1) - TRANSITION-STATES AND BARRIER HEIGHTS
MA, BY
论文数:
0
引用数:
0
h-index:
0
机构:
Center for Computational Quantum Chemistry, The University of Georgia, Athens
MA, BY
XIE, YM
论文数:
0
引用数:
0
h-index:
0
机构:
Center for Computational Quantum Chemistry, The University of Georgia, Athens
XIE, YM
SHEN, MZ
论文数:
0
引用数:
0
h-index:
0
机构:
Center for Computational Quantum Chemistry, The University of Georgia, Athens
SHEN, MZ
SCHLEYER, PV
论文数:
0
引用数:
0
h-index:
0
机构:
Center for Computational Quantum Chemistry, The University of Georgia, Athens
SCHLEYER, PV
SCHAEFER, HF
论文数:
0
引用数:
0
h-index:
0
机构:
Center for Computational Quantum Chemistry, The University of Georgia, Athens
SCHAEFER, HF
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1993,
115
(24)
: 11169
-
11179
[10]
A THEORETICAL-STUDY OF THE FORMATION OF CARBONIC-ACID FROM THE HYDRATION OF CARBON-DIOXIDE - A CASE OF ACTIVE SOLVENT CATALYSIS
NGUYEN, MT
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,CH-8092 ZURICH,SWITZERLAND
NGUYEN, MT
HA, TK
论文数:
0
引用数:
0
h-index:
0
机构:
SWISS FED INST TECHNOL,PHYS CHEM LAB,CH-8092 ZURICH,SWITZERLAND
HA, TK
[J].
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
1984,
106
(03)
: 599
-
602
←
1
2
→