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Recent advances in the description of solvent effects with the polarizable continuum model
被引:475
作者
:
Amovilli, C
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Dipartimento Chim & Chim Ind, I-56100 Pisa, Italy
Amovilli, C
Barone, V
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Dipartimento Chim & Chim Ind, I-56100 Pisa, Italy
Barone, V
Cammi, R
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Dipartimento Chim & Chim Ind, I-56100 Pisa, Italy
Cammi, R
Cancès, E
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Dipartimento Chim & Chim Ind, I-56100 Pisa, Italy
Cancès, E
Cossi, M
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Dipartimento Chim & Chim Ind, I-56100 Pisa, Italy
Cossi, M
论文数:
引用数:
h-index:
机构:
Mennucci, B
Pomelli, CS
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Dipartimento Chim & Chim Ind, I-56100 Pisa, Italy
Pomelli, CS
Tomasi, J
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Pisa, Dipartimento Chim & Chim Ind, I-56100 Pisa, Italy
Univ Pisa, Dipartimento Chim & Chim Ind, I-56100 Pisa, Italy
Tomasi, J
[
1
]
机构
:
[1]
Univ Pisa, Dipartimento Chim & Chim Ind, I-56100 Pisa, Italy
[2]
Univ Naples Federico II, Dipartimento Chim, Naples, Italy
[3]
Univ Parma, Dipartimento Chim Gen & Inorgan, I-43100 Parma, Italy
[4]
Ecole Natl Ponts & Chaussees, CERMICS, Paris, France
[5]
Scuola Normale Super Pisa, Pisa, Italy
来源
:
ADVANCES IN QUANTUM CHEMISTRY, VOL 32: QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, PT II
|
1998年
/ 32卷
关键词
:
D O I
:
10.1016/S0065-3276(08)60416-5
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
:
[No abstract available]
引用
收藏
页码:227 / 261
页数:35
相关论文
共 70 条
[11]
ANALYTICAL DERIVATIVES FOR MOLECULAR SOLUTES .2. HARTREE-FOCK ENERGY FIRST-DERIVATIVE AND 2ND-DERIVATIVE WITH RESPECT TO NUCLEAR COORDINATES
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CAMMI, R
TOMASI, J
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UNIV PISA,DIPARTIMENTO CHIM,I-56100 PISA,ITALY
UNIV PISA,DIPARTIMENTO CHIM,I-56100 PISA,ITALY
TOMASI, J
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JOURNAL OF CHEMICAL PHYSICS,
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REMARKS ON THE USE OF THE APPARENT SURFACE-CHARGES (ASC) METHODS IN SOLVATION PROBLEMS - ITERATIVE VERSUS MATRIX-INVERSION PROCEDURES AND THE RENORMALIZATION OF THE APPARENT CHARGES
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CAMMI, R
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UNIV PISA, DIPARTIMENTO CHIM, I-56100 PISA, ITALY
UNIV PISA, DIPARTIMENTO CHIM, I-56100 PISA, ITALY
TOMASI, J
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
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Analytical Hartree-Fock calculation of the dynamical polarizabilities alpha, beta, and gamma of molecules in solution
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Cammi, R
Cossi, M
论文数:
0
引用数:
0
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0
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UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
Cossi, M
论文数:
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h-index:
机构:
Mennucci, B
Tomasi, J
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0
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0
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0
机构:
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
Tomasi, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1996,
105
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[14]
Analytical derivatives for molecular solutes .3. Hartree-Fock static polarizability and hyperpolarizabilities in the polarizable continuum model
论文数:
引用数:
h-index:
机构:
Cammi, R
Cossi, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
Cossi, M
Tomasi, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
Tomasi, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1996,
104
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4620
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Cammi R, 1996, INT J QUANTUM CHEM, V60, P1165, DOI 10.1002/(SICI)1097-461X(1996)60:6<1165::AID-QUA5>3.0.CO
[16]
2-Y
[17]
ANALYTICAL DERIVATIVES FOR MOLECULAR SOLUTES .1. HARTREE-FOCK ENERGY FIRST DERIVATIVES WITH RESPECT TO EXTERNAL PARAMETERS IN THE POLARIZABLE CONTINUUM MODEL
论文数:
引用数:
h-index:
机构:
CAMMI, R
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA, DIPARTIMENTO CHIM, I-56100 PISA, ITALY
UNIV PISA, DIPARTIMENTO CHIM, I-56100 PISA, ITALY
TOMASI, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1994,
100
(10)
: 7495
-
7502
[18]
CAMMI R, UNPUB CHEM PHYS LETT
[19]
CAMMI R, UNPUB J CHEM PHYS
[20]
CAMMI R, 1997, THEORETICAL ASPECTS
←
1
2
3
4
5
6
7
→
共 70 条
[11]
ANALYTICAL DERIVATIVES FOR MOLECULAR SOLUTES .2. HARTREE-FOCK ENERGY FIRST-DERIVATIVE AND 2ND-DERIVATIVE WITH RESPECT TO NUCLEAR COORDINATES
论文数:
引用数:
h-index:
机构:
CAMMI, R
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,DIPARTIMENTO CHIM,I-56100 PISA,ITALY
UNIV PISA,DIPARTIMENTO CHIM,I-56100 PISA,ITALY
TOMASI, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1994,
101
(05)
: 3888
-
3897
[12]
REMARKS ON THE USE OF THE APPARENT SURFACE-CHARGES (ASC) METHODS IN SOLVATION PROBLEMS - ITERATIVE VERSUS MATRIX-INVERSION PROCEDURES AND THE RENORMALIZATION OF THE APPARENT CHARGES
论文数:
引用数:
h-index:
机构:
CAMMI, R
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA, DIPARTIMENTO CHIM, I-56100 PISA, ITALY
UNIV PISA, DIPARTIMENTO CHIM, I-56100 PISA, ITALY
TOMASI, J
[J].
JOURNAL OF COMPUTATIONAL CHEMISTRY,
1995,
16
(12)
: 1449
-
1458
[13]
Analytical Hartree-Fock calculation of the dynamical polarizabilities alpha, beta, and gamma of molecules in solution
论文数:
引用数:
h-index:
机构:
Cammi, R
Cossi, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
Cossi, M
论文数:
引用数:
h-index:
机构:
Mennucci, B
Tomasi, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
Tomasi, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1996,
105
(23)
: 10556
-
10564
[14]
Analytical derivatives for molecular solutes .3. Hartree-Fock static polarizability and hyperpolarizabilities in the polarizable continuum model
论文数:
引用数:
h-index:
机构:
Cammi, R
Cossi, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
Cossi, M
Tomasi, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
UNIV PISA,DIPARTIMENTO CHIM & CHIM IND,I-56126 PISA,ITALY
Tomasi, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1996,
104
(12)
: 4611
-
4620
[15]
Cammi R, 1996, INT J QUANTUM CHEM, V60, P1165, DOI 10.1002/(SICI)1097-461X(1996)60:6<1165::AID-QUA5>3.0.CO
[16]
2-Y
[17]
ANALYTICAL DERIVATIVES FOR MOLECULAR SOLUTES .1. HARTREE-FOCK ENERGY FIRST DERIVATIVES WITH RESPECT TO EXTERNAL PARAMETERS IN THE POLARIZABLE CONTINUUM MODEL
论文数:
引用数:
h-index:
机构:
CAMMI, R
TOMASI, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PISA, DIPARTIMENTO CHIM, I-56100 PISA, ITALY
UNIV PISA, DIPARTIMENTO CHIM, I-56100 PISA, ITALY
TOMASI, J
[J].
JOURNAL OF CHEMICAL PHYSICS,
1994,
100
(10)
: 7495
-
7502
[18]
CAMMI R, UNPUB CHEM PHYS LETT
[19]
CAMMI R, UNPUB J CHEM PHYS
[20]
CAMMI R, 1997, THEORETICAL ASPECTS
←
1
2
3
4
5
6
7
→