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Modeling of molecular interactions of soil components with organic compounds
被引:3
作者
:
Haberhauer, G
论文数:
0
引用数:
0
h-index:
0
机构:
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
Haberhauer, G
[
1
]
Aquino, AJA
论文数:
0
引用数:
0
h-index:
0
机构:
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
Aquino, AJA
[
1
]
Tunega, D
论文数:
0
引用数:
0
h-index:
0
机构:
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
Tunega, D
[
1
]
Gerzabek, MH
论文数:
0
引用数:
0
h-index:
0
机构:
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
Gerzabek, MH
[
1
]
Lischka, H
论文数:
0
引用数:
0
h-index:
0
机构:
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
Lischka, H
[
1
]
机构
:
[1]
Austrian Res Ctr, Dept Environm Res, A-2444 Seibersdorf, Austria
来源
:
HUMIC SUBSTANCES: STRUCTURES, MODELS AND FUNCTIONS
|
2001年
/ 273期
关键词
:
D O I
:
10.1039/9781847551085-00209
中图分类号
:
O62 [有机化学];
学科分类号
:
070303 ;
081704 ;
摘要
:
引用
收藏
页码:209 / 219
页数:11
相关论文
共 48 条
[1]
ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
BAR, M
论文数:
0
引用数:
0
h-index:
0
BAR, M
HASER, M
论文数:
0
引用数:
0
h-index:
0
HASER, M
HORN, H
论文数:
0
引用数:
0
h-index:
0
HORN, H
KOLMEL, C
论文数:
0
引用数:
0
h-index:
0
KOLMEL, C
[J].
CHEMICAL PHYSICS LETTERS,
1989,
162
(03)
: 165
-
169
[2]
[Anonymous], 1996, MOL MODELLING PRINCI
[3]
A density functional theoretical study on solvated Al3+-oxalate complexes:: structures and thermodynamic properties
Aquino, AJA
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
Aquino, AJA
Tunega, D
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
Tunega, D
Haberhauer, G
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
Haberhauer, G
Gerzabek, M
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
Gerzabek, M
Lischka, H
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
Lischka, H
[J].
PHYSICAL CHEMISTRY CHEMICAL PHYSICS,
2000,
2
(13)
: 2845
-
2850
[4]
AQUINO AJA, 2001, IN PRESS PHYS CHEM C
[5]
A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
Barone, V
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
Barone, V
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,
1997,
107
(08)
: 3210
-
3221
[6]
EXPERIMENTAL-STUDY OF ALUMINUM-ACETATE COMPLEXING BETWEEN 60-DEGREES-C AND 200-DEGREES-C
BENEZETH, P
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Géochimie-CNRS-OMP, Université Paul-Sabatier
BENEZETH, P
CASTET, S
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Géochimie-CNRS-OMP, Université Paul-Sabatier
CASTET, S
DANDURAND, JL
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Géochimie-CNRS-OMP, Université Paul-Sabatier
DANDURAND, JL
GOUT, R
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Géochimie-CNRS-OMP, Université Paul-Sabatier
GOUT, R
SCHOTT, J
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Géochimie-CNRS-OMP, Université Paul-Sabatier
SCHOTT, J
[J].
GEOCHIMICA ET COSMOCHIMICA ACTA,
1994,
58
(21)
: 4561
-
4571
[7]
A Monte Carlo study of water at an uncharged clay surface
Bridgeman, CH
论文数:
0
引用数:
0
h-index:
0
机构:
UCL, DEPT PHYS, LONDON WC1E 6BT, ENGLAND
UCL, DEPT PHYS, LONDON WC1E 6BT, ENGLAND
Bridgeman, CH
Skipper, NT
论文数:
0
引用数:
0
h-index:
0
机构:
UCL, DEPT PHYS, LONDON WC1E 6BT, ENGLAND
UCL, DEPT PHYS, LONDON WC1E 6BT, ENGLAND
Skipper, NT
[J].
JOURNAL OF PHYSICS-CONDENSED MATTER,
1997,
9
(20)
: 4081
-
4087
[8]
Monte Carlo and molecular dynamics simulations of interfacial structure in lithium-montmorillonite hydrates
Chang, FRC
论文数:
0
引用数:
0
h-index:
0
机构:
UCL, DEPT PHYS & ASTRON, LONDON WC13 6BT, ENGLAND
Chang, FRC
Skipper, NT
论文数:
0
引用数:
0
h-index:
0
机构:
UCL, DEPT PHYS & ASTRON, LONDON WC13 6BT, ENGLAND
Skipper, NT
Sposito, G
论文数:
0
引用数:
0
h-index:
0
机构:
UCL, DEPT PHYS & ASTRON, LONDON WC13 6BT, ENGLAND
Sposito, G
[J].
LANGMUIR,
1997,
13
(07)
: 2074
-
2082
[9]
Monte Carlo and molecular dynamics simulations of electrical double-layer structure in potassium-montmorillonite hydrates
Chang, FRC
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA
Chang, FRC
Skipper, NT
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA
Skipper, NT
Sposito, G
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA
Sposito, G
[J].
LANGMUIR,
1998,
14
(05)
: 1201
-
1207
[10]
Ab initio study of solvated molecules: A new implementation of the polarizable continuum model
Cossi, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA, DIPARTIMENTO CHIM, PARMA, ITALY
Cossi, M
Barone, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA, DIPARTIMENTO CHIM, PARMA, ITALY
Barone, V
Cammi, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA, DIPARTIMENTO CHIM, PARMA, ITALY
Cammi, R
Tomasi, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA, DIPARTIMENTO CHIM, PARMA, ITALY
Tomasi, J
[J].
CHEMICAL PHYSICS LETTERS,
1996,
255
(4-6)
: 327
-
335
←
1
2
3
4
5
→
共 48 条
[1]
ELECTRONIC-STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS - THE PROGRAM SYSTEM TURBOMOLE
AHLRICHS, R
论文数:
0
引用数:
0
h-index:
0
AHLRICHS, R
BAR, M
论文数:
0
引用数:
0
h-index:
0
BAR, M
HASER, M
论文数:
0
引用数:
0
h-index:
0
HASER, M
HORN, H
论文数:
0
引用数:
0
h-index:
0
HORN, H
KOLMEL, C
论文数:
0
引用数:
0
h-index:
0
KOLMEL, C
[J].
CHEMICAL PHYSICS LETTERS,
1989,
162
(03)
: 165
-
169
[2]
[Anonymous], 1996, MOL MODELLING PRINCI
[3]
A density functional theoretical study on solvated Al3+-oxalate complexes:: structures and thermodynamic properties
Aquino, AJA
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
Aquino, AJA
Tunega, D
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
Tunega, D
Haberhauer, G
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
Haberhauer, G
Gerzabek, M
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
Gerzabek, M
Lischka, H
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Vienna, Inst Theoret Chem & Struct Biol, A-1090 Vienna, Austria
Lischka, H
[J].
PHYSICAL CHEMISTRY CHEMICAL PHYSICS,
2000,
2
(13)
: 2845
-
2850
[4]
AQUINO AJA, 2001, IN PRESS PHYS CHEM C
[5]
A new definition of cavities for the computation of solvation free energies by the polarizable continuum model
Barone, V
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
Barone, V
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,
1997,
107
(08)
: 3210
-
3221
[6]
EXPERIMENTAL-STUDY OF ALUMINUM-ACETATE COMPLEXING BETWEEN 60-DEGREES-C AND 200-DEGREES-C
BENEZETH, P
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Géochimie-CNRS-OMP, Université Paul-Sabatier
BENEZETH, P
CASTET, S
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Géochimie-CNRS-OMP, Université Paul-Sabatier
CASTET, S
DANDURAND, JL
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Géochimie-CNRS-OMP, Université Paul-Sabatier
DANDURAND, JL
GOUT, R
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Géochimie-CNRS-OMP, Université Paul-Sabatier
GOUT, R
SCHOTT, J
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Géochimie-CNRS-OMP, Université Paul-Sabatier
SCHOTT, J
[J].
GEOCHIMICA ET COSMOCHIMICA ACTA,
1994,
58
(21)
: 4561
-
4571
[7]
A Monte Carlo study of water at an uncharged clay surface
Bridgeman, CH
论文数:
0
引用数:
0
h-index:
0
机构:
UCL, DEPT PHYS, LONDON WC1E 6BT, ENGLAND
UCL, DEPT PHYS, LONDON WC1E 6BT, ENGLAND
Bridgeman, CH
Skipper, NT
论文数:
0
引用数:
0
h-index:
0
机构:
UCL, DEPT PHYS, LONDON WC1E 6BT, ENGLAND
UCL, DEPT PHYS, LONDON WC1E 6BT, ENGLAND
Skipper, NT
[J].
JOURNAL OF PHYSICS-CONDENSED MATTER,
1997,
9
(20)
: 4081
-
4087
[8]
Monte Carlo and molecular dynamics simulations of interfacial structure in lithium-montmorillonite hydrates
Chang, FRC
论文数:
0
引用数:
0
h-index:
0
机构:
UCL, DEPT PHYS & ASTRON, LONDON WC13 6BT, ENGLAND
Chang, FRC
Skipper, NT
论文数:
0
引用数:
0
h-index:
0
机构:
UCL, DEPT PHYS & ASTRON, LONDON WC13 6BT, ENGLAND
Skipper, NT
Sposito, G
论文数:
0
引用数:
0
h-index:
0
机构:
UCL, DEPT PHYS & ASTRON, LONDON WC13 6BT, ENGLAND
Sposito, G
[J].
LANGMUIR,
1997,
13
(07)
: 2074
-
2082
[9]
Monte Carlo and molecular dynamics simulations of electrical double-layer structure in potassium-montmorillonite hydrates
Chang, FRC
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA
Chang, FRC
Skipper, NT
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA
Skipper, NT
Sposito, G
论文数:
0
引用数:
0
h-index:
0
机构:
Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA
Sposito, G
[J].
LANGMUIR,
1998,
14
(05)
: 1201
-
1207
[10]
Ab initio study of solvated molecules: A new implementation of the polarizable continuum model
Cossi, M
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA, DIPARTIMENTO CHIM, PARMA, ITALY
Cossi, M
Barone, V
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA, DIPARTIMENTO CHIM, PARMA, ITALY
Barone, V
Cammi, R
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA, DIPARTIMENTO CHIM, PARMA, ITALY
Cammi, R
Tomasi, J
论文数:
0
引用数:
0
h-index:
0
机构:
UNIV PARMA, DIPARTIMENTO CHIM, PARMA, ITALY
Tomasi, J
[J].
CHEMICAL PHYSICS LETTERS,
1996,
255
(4-6)
: 327
-
335
←
1
2
3
4
5
→