-
1
-
-
0037123079
-
Molecular Mechanism of Ion Binding to the Liquid/Vapor Interface of Water
-
Dang, L. X.; Chang, T. M. Molecular Mechanism of Ion Binding to the Liquid/Vapor Interface of Water J. Phys. Chem. B 2002, 106, 235-238
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 235-238
-
-
Dang, L.X.1
Chang, T.M.2
-
2
-
-
0035525939
-
Molecular Structure of Salt Solutions: A New View of the Interface with Implications for Heterogeneous Atmospheric Chemistry
-
Jungwirth, P.; Tobias, D. J. Molecular Structure of Salt Solutions: A New View of the Interface with Implications for Heterogeneous Atmospheric Chemistry J. Phys. Chem. B 2001, 105, 10468-10472
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 10468-10472
-
-
Jungwirth, P.1
Tobias, D.J.2
-
3
-
-
26844514794
-
Attraction of Iodide Ions by the Free Water Surface, Revealed by Simulations with a Polarizable Force Field Based on Drude Oscillators
-
Archontis, G.; Leontidis, E.; Andreou, G. Attraction of Iodide Ions by the Free Water Surface, Revealed by Simulations with a Polarizable Force Field Based on Drude Oscillators J. Phys. Chem. B 2005, 109, 17957-17966
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 17957-17966
-
-
Archontis, G.1
Leontidis, E.2
Andreou, G.3
-
4
-
-
33646732279
-
On the Nature of Ions at the Liquid Water Surface
-
Petersen, P. B.; Saykally, R. J. On the Nature of Ions at the Liquid Water Surface Annu. Rev. Phys. Chem. 2006, 57, 333-364
-
(2006)
Annu. Rev. Phys. Chem.
, vol.57
, pp. 333-364
-
-
Petersen, P.B.1
Saykally, R.J.2
-
5
-
-
1242290957
-
Vibrational Spectroscopy of Aqueous Sodium Halide Solutions and Air-Liquid Interfaces: Observation of Increased Interfacial Depth
-
Liu, D. F.; Ma, G.; Levering, L. M.; Allen, H. C. Vibrational Spectroscopy of Aqueous Sodium Halide Solutions and Air-Liquid Interfaces: Observation of Increased Interfacial Depth J. Phys. Chem. B 2004, 108, 2252-2260
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 2252-2260
-
-
Liu, D.F.1
Ma, G.2
Levering, L.M.3
Allen, H.C.4
-
6
-
-
2342475172
-
Probing the Molecular Structure and Bonding of the Surface of Aqueous Salt Solutions
-
Raymond, E. A.; Richmond, G. L. Probing the Molecular Structure and Bonding of the Surface of Aqueous Salt Solutions J. Phys. Chem. B 2004, 108, 5051-5059
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 5051-5059
-
-
Raymond, E.A.1
Richmond, G.L.2
-
7
-
-
33646387717
-
Specific Ion Effects at the Air/Water Interface
-
Jungwirth, P.; Tobias, D. J. Specific Ion Effects at the Air/Water Interface Chem. Rev. 2006, 106, 1259-1281
-
(2006)
Chem. Rev.
, vol.106
, pp. 1259-1281
-
-
Jungwirth, P.1
Tobias, D.J.2
-
8
-
-
33646430310
-
Recent Advances in Molecular Simulations of Ion Solvation at Liquid Interfaces
-
Chang, T. M.; Dang, L. X. Recent Advances in Molecular Simulations of Ion Solvation at Liquid Interfaces Chem. Rev. 2006, 106, 1305-1322
-
(2006)
Chem. Rev.
, vol.106
, pp. 1305-1322
-
-
Chang, T.M.1
Dang, L.X.2
-
9
-
-
33847618816
-
Molecular Dynamics Study of Gas-Liquid Aqueous Sodium Halide Interfaces. I. Flexible and Polarizable Molecular Modeling and Interfacial Properties
-
Ishiyama, T.; Morita, A. Molecular Dynamics Study of Gas-Liquid Aqueous Sodium Halide Interfaces. I. Flexible and Polarizable Molecular Modeling and Interfacial Properties J. Phys. Chem. C 2007, 111, 721-737
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 721-737
-
-
Ishiyama, T.1
Morita, A.2
-
10
-
-
20544459348
-
Enhanced Concentration of Polarizable Anions at the Liquid Water Surface: SHG Spectroscopy and MD Simulations of Sodium Thiocyanide
-
Petersen, P. B.; Saykally, R. J.; Mucha, M.; Jungwirth, P. Enhanced Concentration of Polarizable Anions at the Liquid Water Surface: SHG Spectroscopy and MD Simulations of Sodium Thiocyanide J. Phys. Chem. B 2005, 109, 10915-10921
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 10915-10921
-
-
Petersen, P.B.1
Saykally, R.J.2
Mucha, M.3
Jungwirth, P.4
-
11
-
-
21544449144
-
Where Do Ions Solvate?
-
Levin, Y. Where Do Ions Solvate? Pramana 2005, 64, 957-961
-
(2005)
Pramana
, vol.64
, pp. 957-961
-
-
Levin, Y.1
-
12
-
-
69949100811
-
Specific Ion Adsorption at the Air/Water Interface: The Role of Hydrophobic Solvation
-
Horinek, D.; Herz, A.; Vrbka, L.; Sedlmeier, F.; Mamatkulov, S. I.; Netz, R. R. Specific Ion Adsorption at the Air/Water Interface: The Role of Hydrophobic Solvation Chem. Phys. Lett. 2009, 479, 173-183
-
(2009)
Chem. Phys. Lett.
, vol.479
, pp. 173-183
-
-
Horinek, D.1
Herz, A.2
Vrbka, L.3
Sedlmeier, F.4
Mamatkulov, S.I.5
Netz, R.R.6
-
13
-
-
79955556311
-
Atomistic Simulation of Ion Solvation in Water Explains Surface Preference of Halides
-
Caleman, C.; Hub, J. S.; van Maaren, P. J.; van der Spoel, D. Atomistic Simulation of Ion Solvation in Water Explains Surface Preference of Halides Proc. Natl. Acad. Sci. U.S.A. 2011, 108, 6838-6842
-
(2011)
Proc. Natl. Acad. Sci. U.S.A.
, vol.108
, pp. 6838-6842
-
-
Caleman, C.1
Hub, J.S.2
Van Maaren, P.J.3
Van Der Spoel, D.4
-
14
-
-
84856404966
-
Elucidating the Mechanism of Selective Ion Adsorption to the Liquid Water Surface
-
Otten, D. E.; Shaffer, P. R.; Geissler, P. L.; Saykally, R. J. Elucidating the Mechanism of Selective Ion Adsorption to the Liquid Water Surface Proc. Natl. Acad. Sci. U.S.A. 2012, 109, 701-705
-
(2012)
Proc. Natl. Acad. Sci. U.S.A.
, vol.109
, pp. 701-705
-
-
Otten, D.E.1
Shaffer, P.R.2
Geissler, P.L.3
Saykally, R.J.4
-
15
-
-
17144366296
-
The Surface Tension of Debye-Huckel Electrolytes
-
Onsager, L.; Samaras, N. N. T. The Surface Tension of Debye-Huckel Electrolytes J. Chem. Phys. 1934, 2, 528-536
-
(1934)
J. Chem. Phys.
, vol.2
, pp. 528-536
-
-
Onsager, L.1
Samaras, N.N.T.2
-
16
-
-
84972957246
-
Structure at the Free Surface of Water and Aqueous Electrolyte Solutions
-
Randles, J. E. B. Structure at the Free Surface of Water and Aqueous Electrolyte Solutions Phys. Chem. Liq. 1977, 7, 107
-
(1977)
Phys. Chem. Liq.
, vol.7
, pp. 107
-
-
Randles, J.E.B.1
-
17
-
-
72449172505
-
Ions at the Air-Water Interface: An End to a Hundred-Year-Old Mystery?
-
Levin, Y.; dos Santos, A. P.; Diehl, A. Ions at the Air-Water Interface: An End to a Hundred-Year-Old Mystery? Phys. Rev. Lett. 2009, 103, 147803
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 147803
-
-
Levin, Y.1
Dos Santos, A.P.2
Diehl, A.3
-
18
-
-
84861884628
-
Electrochemical Surface Potential Due to Classical Point Charge Models Drives Anion Adsorption to the Air-Water Interface
-
Baer, M. D.; Stern, A. C.; Levin, Y.; Tobias, D. J.; Mundy, C. J. Electrochemical Surface Potential Due to Classical Point Charge Models Drives Anion Adsorption to the Air-Water Interface J. Phys. Chem. Lett. 2012, 3, 1565-1570
-
(2012)
J. Phys. Chem. Lett.
, vol.3
, pp. 1565-1570
-
-
Baer, M.D.1
Stern, A.C.2
Levin, Y.3
Tobias, D.J.4
Mundy, C.J.5
-
19
-
-
4444272843
-
Propensity of Soft Ions for the Air/Water Interface
-
Vrbka, L.; Mucha, M.; Minofar, B.; Jungwirth, P.; Brown, E. C.; Tobias, D. J. Propensity of Soft Ions for the Air/Water Interface Curr. Opin. Colloid Interface Sci. 2004, 9, 67-73
-
(2004)
Curr. Opin. Colloid Interface Sci.
, vol.9
, pp. 67-73
-
-
Vrbka, L.1
Mucha, M.2
Minofar, B.3
Jungwirth, P.4
Brown, E.C.5
Tobias, D.J.6
-
20
-
-
67649549996
-
Relation between Surface Tension and Ion Adsorption at the Air-Water Interface: A Molecular Dynamics Simulation Study
-
D'Auria, R.; Tobias, D. J. Relation between Surface Tension and Ion Adsorption at the Air-Water Interface: A Molecular Dynamics Simulation Study J. Phys. Chem. A 2009, 113, 7286-7293
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 7286-7293
-
-
D'Auria, R.1
Tobias, D.J.2
-
21
-
-
84961983456
-
Accounting for Electronic Polarization in Non-Polarizable Force Fields
-
Leontyev, I.; Stuchebrukhov, A. Accounting for Electronic Polarization in Non-Polarizable Force Fields Phys. Chem. Chem. Phys. 2011, 13, 2613-2626
-
(2011)
Phys. Chem. Chem. Phys.
, vol.13
, pp. 2613-2626
-
-
Leontyev, I.1
Stuchebrukhov, A.2
-
22
-
-
84961978300
-
Electronic Continuum Model for Molecular Dynamics Simulations of Biological Molceules
-
Leontyev, I. V.; Stuchebrukhov, A. A. Electronic Continuum Model for Molecular Dynamics Simulations of Biological Molceules J. Chem. Theory Comput. 2010, 6, 1498-1508
-
(2010)
J. Chem. Theory Comput.
, vol.6
, pp. 1498-1508
-
-
Leontyev, I.V.1
Stuchebrukhov, A.A.2
-
23
-
-
84863696122
-
Accurate Description of Aqueous Carbonate Ions: An Effective Polarization Model Verified by Neutron Scattering
-
Mason, P. E.; Wernersson, E.; Jungwirth, P. Accurate Description of Aqueous Carbonate Ions: An Effective Polarization Model Verified by Neutron Scattering J. Phys. Chem. B 2012, 116, 8145-8153
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 8145-8153
-
-
Mason, P.E.1
Wernersson, E.2
Jungwirth, P.3
-
24
-
-
84863652661
-
Solvation and Ion-Pairing Properties of the Aqueous Sulfate Anion: Explicit versus Effective Electronic Polarization
-
Pedago, L.; Marsalek, O.; Jungwirth, P.; Wernersson, E. Solvation and Ion-Pairing Properties of the Aqueous Sulfate Anion: Explicit versus Effective Electronic Polarization Phys. Chem. Chem. Phys. 2012, 14, 10248-10257
-
(2012)
Phys. Chem. Chem. Phys.
, vol.14
, pp. 10248-10257
-
-
Pedago, L.1
Marsalek, O.2
Jungwirth, P.3
Wernersson, E.4
-
25
-
-
33845296122
-
Relative Permittivity of n-Alkanes from n-Pentane to n-Decane As a Function of Pressure and Temperature
-
Scaife, W. G. Relative Permittivity of n-Alkanes from n-Pentane to n-Decane As a Function of Pressure and Temperature J. Phys. A: Gen. Phys. 1972, 5, 897-903
-
(1972)
J. Phys. A: Gen. Phys.
, vol.5
, pp. 897-903
-
-
Scaife, W.G.1
-
26
-
-
37049113059
-
Interfacial Tensions at Alkane-Aqueous Electrolyte Interfaces
-
Aveyard, R.; Saleem, S. M. Interfacial Tensions at Alkane-Aqueous Electrolyte Interfaces J. Chem. Soc., Faraday Trans. 1 1976, 72, 1609-1617
-
(1976)
J. Chem. Soc., Faraday Trans. 1
, vol.72
, pp. 1609-1617
-
-
Aveyard, R.1
Saleem, S.M.2
-
27
-
-
2142720593
-
Ion Binding and Ion Specificity: The Hofmeister Effect and Onsager and Lifshitz theories
-
Ninham, B. W.; Yaminsky, V. Ion Binding and Ion Specificity: The Hofmeister Effect and Onsager and Lifshitz theories Langmuir 1997, 13, 2097-2108
-
(1997)
Langmuir
, vol.13
, pp. 2097-2108
-
-
Ninham, B.W.1
Yaminsky, V.2
-
29
-
-
0037058070
-
Computational Study of Ion Binding to the Liquid Interface of Water
-
Dang, L. X. Computational Study of Ion Binding to the Liquid Interface of Water J. Phys. Chem. B 2002, 106 (40) 10388-10394
-
(2002)
J. Phys. Chem. B
, vol.106
, Issue.40
, pp. 10388-10394
-
-
Dang, L.X.1
-
30
-
-
69549089700
-
Electrostatic Dampening Dampens the Anion Propensity for the Air-Water Interface
-
Wick, C. D. Electrostatic Dampening Dampens the Anion Propensity for the Air-Water Interface. J. Chem. Phys. 2009, 131, (8), 084715.
-
(2009)
J. Chem. Phys.
, vol.131
, Issue.8
, pp. 084715
-
-
Wick, C.D.1
-
31
-
-
0030602293
-
Surface Tension of Aqueous Solutions of Electrolytes: Relationship with Ion Hydration, Oxygen Solubility, and Bubble Coalescence
-
Weissenborn, P. K.; Pugh, R. J. Surface Tension of Aqueous Solutions of Electrolytes: Relationship with Ion Hydration, Oxygen Solubility, And Bubble Coalescence J. Colloid Interface Sci. 1996, 184 (2) 550-563
-
(1996)
J. Colloid Interface Sci.
, vol.184
, Issue.2
, pp. 550-563
-
-
Weissenborn, P.K.1
Pugh, R.J.2
-
32
-
-
33846086933
-
Canonical Sampling through Velocity Rescaling
-
Bussi, G.; Donadio, D.; Parrinello, M. Canonical Sampling through Velocity Rescaling J. Chem. Phys. 2007, 126 (1) 014101
-
(2007)
J. Chem. Phys.
, vol.126
, Issue.1
, pp. 014101
-
-
Bussi, G.1
Donadio, D.2
Parrinello, M.3
-
33
-
-
1242346370
-
The Missing Term in Effective Pair Potentials
-
Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. The Missing Term in Effective Pair Potentials J. Phys. Chem. 1987, 91 (24) 6269-6271
-
(1987)
J. Phys. Chem.
, vol.91
, Issue.24
, pp. 6269-6271
-
-
Berendsen, H.J.C.1
Grigera, J.R.2
Straatsma, T.P.3
-
34
-
-
33750587438
-
Molecular Dynamics with Coupling to an External Bath
-
Berendsen, H. J. C.; Postma, J. P. M.; Van Gunsteren, W. F.; Dinola, A.; Haak, J. R. Molecular Dynamics with Coupling to an External Bath J. Chem. Phys. 1984, 81 (8) 3684-3690
-
(1984)
J. Chem. Phys.
, vol.81
, Issue.8
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Dinola, A.4
Haak, J.R.5
-
35
-
-
4444272843
-
Propensity of Soft Ions for the Air/Water Interface
-
Vrbka, L.; Mucha, M.; Minofar, B.; Jungwirth, P.; Brown, E. C.; Tobias, D. J. Propensity of Soft Ions for the Air/Water Interface Curr. Opin. Colloid Interface Sci. 2004, 9 (1-2) 67-73
-
(2004)
Curr. Opin. Colloid Interface Sci.
, vol.9
, Issue.1-2
, pp. 67-73
-
-
Vrbka, L.1
Mucha, M.2
Minofar, B.3
Jungwirth, P.4
Brown, E.C.5
Tobias, D.J.6
-
36
-
-
63649153582
-
Rational Design of Ion Force Fields Based on Thermodynamic Solvation Properties
-
Horinek, D.; Mamatkulov, S. I.; Netz, R. R., Rational Design of Ion Force Fields Based on Thermodynamic Solvation Properties. J. Chem. Phys. 2009, 130, (12), 124507.
-
(2009)
J. Chem. Phys.
, vol.130
, Issue.12
, pp. 124507
-
-
Horinek, D.1
Mamatkulov, S.I.2
Netz, R.R.3
-
37
-
-
0001061046
-
Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes
-
Martin, M. G.; Siepmann, J. I. Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes J. Phys. Chem. B 1998, 102 (14) 2569-2577
-
(1998)
J. Phys. Chem. B
, vol.102
, Issue.14
, pp. 2569-2577
-
-
Martin, M.G.1
Siepmann, J.I.2
-
38
-
-
33645961739
-
A Smooth Particle Mesh Ewald Method
-
Essmann, U.; Perera, L.; Berkowitz, M. L.; Darden, T.; Lee, H.; Pedersen, L. G. A Smooth Particle Mesh Ewald Method J. Chem. Phys. 1995, 103 (19) 8577-8593
-
(1995)
J. Chem. Phys.
, vol.103
, Issue.19
, pp. 8577-8593
-
-
Essmann, U.1
Perera, L.2
Berkowitz, M.L.3
Darden, T.4
Lee, H.5
Pedersen, L.G.6
-
39
-
-
0000388705
-
LINCS: A Linear Constraint Solver for Molecular Simulations
-
Hess, B.; Bekker, H.; Berendsen, H. J. C.; Fraaije, J. G. E. M. LINCS: A Linear Constraint Solver for Molecular Simulations J. Comput. Chem. 1997, 18 (12) 1463-1472
-
(1997)
J. Comput. Chem.
, vol.18
, Issue.12
, pp. 1463-1472
-
-
Hess, B.1
Bekker, H.2
Berendsen, H.J.C.3
Fraaije, J.G.E.M.4
-
40
-
-
46249092554
-
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
-
Hess, B.; Kutzner, C.; van der Spoel, D.; Lindahl, E. GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation J. Chem. Theory Comput. 2008, 4 (3) 435-447
-
(2008)
J. Chem. Theory Comput.
, vol.4
, Issue.3
, pp. 435-447
-
-
Hess, B.1
Kutzner, C.2
Van Der Spoel, D.3
Lindahl, E.4
|