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Volumn 2, Issue 9, 2011, Pages 1088-1093

Toward an understanding of the specific ion effect using density functional theory

Author keywords

[No Author keywords available]

Indexed keywords

AIR WATER INTERFACES; EXPERIMENTAL STUDIES; HOFMEISTER SERIES; INTERACTION POTENTIALS; ION EFFECT; MICROSCOPIC INTERACTION; RESEARCH SUPPORT; SURFACE ADSORPTION;

EID: 79955905244     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz200333b     Document Type: Article
Times cited : (121)

References (51)
  • 1
    • 40149088818 scopus 로고    scopus 로고
    • Chemistry: Getting specific about specific ion effects
    • DOI 10.1126/science.1152799
    • Tobias, D. J.; Hemminger, J. C. Chemistry - Getting Specific about Specific Ion Effects Science 2008, 319, 1197-1198 (Pubitemid 351324799)
    • (2008) Science , vol.319 , Issue.5867 , pp. 1197-1198
    • Tobias, D.J.1    Hemminger, J.C.2
  • 3
    • 4944249194 scopus 로고    scopus 로고
    • Molecular Structure of Surface-Active Salt Solutions: Photoelectron Spectroscopy and Molecular Dynamics Simulations of Aqueous Tetrabutylammonium Iodide
    • Winter, B.; Weber, R.; Schmidt, P. M.; Hertel, I. V.; Faubel, M.; Vrbka, L.; Jungwirth, P. Molecular Structure of Surface-Active Salt Solutions: Photoelectron Spectroscopy and Molecular Dynamics Simulations of Aqueous Tetrabutylammonium Iodide J. Phys. Chem. B 2004, 108, 14558-14564
    • (2004) J. Phys. Chem. B , vol.108 , pp. 14558-14564
    • Winter, B.1    Weber, R.2    Schmidt, P.M.3    Hertel, I.V.4    Faubel, M.5    Vrbka, L.6    Jungwirth, P.7
  • 5
    • 20544459348 scopus 로고    scopus 로고
    • Enhanced concentration of polarizable anions at the liquid water surface: SHG spectroscopy and MD simulations of sodium thiocyanide
    • DOI 10.1021/jp050864c
    • 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 (Pubitemid 40844528)
    • (2005) Journal of Physical Chemistry B , vol.109 , Issue.21 , pp. 10915-10921
    • Petersen, P.B.1    Saykally, R.J.2    Mucha, M.3    Jungwirth, P.4
  • 6
    • 27644455269 scopus 로고    scopus 로고
    • Adsorption of ions to the surface of dilute electrolyte solutions: The Jones-Ray effect revisited
    • DOI 10.1021/ja053224w
    • Petersen, P. B.; Saykally, R. J. Adsorption of Ions to the Surface of Dilute Electroyte Solutions: The Jones-Ray Effect Revisited J. Am. Chem. Soc. 2005, 127, 15446-15452 (Pubitemid 41572518)
    • (2005) Journal of the American Chemical Society , vol.127 , Issue.44 , pp. 15446-15452
    • Petersen, P.B.1    Saykally, R.J.2
  • 7
    • 33746891900 scopus 로고    scopus 로고
    • Probing the interfacial structure of aqueous electrolytes with femtosecond second harmonic generation spectroscopy
    • DOI 10.1021/jp0601825
    • Petersen, P. B.; Saykally, R. J. Probing the Interfacial Structure of Aqueous Electrolytes with Femtosecond Second Harmonic Generation Spectroscopy J. Phys. Chem. B 2006, 110, 14060-14073 (Pubitemid 44187961)
    • (2006) Journal of Physical Chemistry B , vol.110 , Issue.29 , pp. 14060-14073
    • Petersen, P.B.1    Saykally, R.J.2
  • 8
    • 36349021462 scopus 로고    scopus 로고
    • Observation of nitrate ions at the air/water interface by UV-second harmonic generation
    • DOI 10.1016/j.cplett.2007.10.081, PII S0009261407014017
    • Otten, D. E.; Petersen, P. B.; Saykally, R. J. Observation of Nitrate Ions at the Air/Water Interface by UV-Second Harmonic Generation Chem. Phys. Lett. 2007, 449, 261-265 (Pubitemid 350160603)
    • (2007) Chemical Physics Letters , vol.449 , Issue.4-6 , pp. 261-265
    • Otten, D.E.1    Petersen, P.B.2    Saykally, R.J.3
  • 10
    • 0035525939 scopus 로고    scopus 로고
    • Molecular structure of salt solutions: A new view of the interface with implications for heterogeneous atmospheric chemistry
    • DOI 10.1021/jp012750g
    • 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 (Pubitemid 35338534)
    • (2001) Journal of Physical Chemistry B , vol.105 , Issue.43 , pp. 10468-10472
    • Jungwirth, P.1    Tobias, D.J.2
  • 11
    • 33646387717 scopus 로고    scopus 로고
    • Specific ion effects at the air/water interface
    • DOI 10.1021/cr0403741
    • Jungwirth, P.; Tobias, D. J. Specific Ion Effects at the Air/Water Interface Chem. Rev. 2006, 106, 1259-1281 (Pubitemid 43676510)
    • (2006) Chemical Reviews , vol.106 , Issue.4 , pp. 1259-1281
    • Jungwirth, P.1    Tobias, D.J.2
  • 12
    • 17144366296 scopus 로고
    • The Surface Tension of Debye-Hückel Electrolytes
    • Onsager, L.; Samaras, N. N. T. The Surface Tension of Debye-Hückel Electrolytes J. Chem. Phys. 1934, 2, 528-537
    • (1934) J. Chem. Phys. , vol.2 , pp. 528-537
    • Onsager, L.1    Samaras, N.N.T.2
  • 13
    • 0001085604 scopus 로고
    • Theoretical-Study of Ion Solvation at theWater Liquid-Vapor Interface
    • Benjamin, I. Theoretical-Study of Ion Solvation at theWater Liquid-Vapor Interface J. Chem. Phys. 1991, 95, 3698-3709
    • (1991) J. Chem. Phys. , vol.95 , pp. 3698-3709
    • Benjamin, I.1
  • 14
    • 0037058070 scopus 로고    scopus 로고
    • Computational study of ion binding to the liquid interface of water
    • DOI 10.1021/jp021871t
    • Dang, L. X. Computational Study of Ion Binding to the Liquid Interface of Water J. Phys. Chem. B 2002, 106, 10388-10394 (Pubitemid 35382683)
    • (2002) Journal of Physical Chemistry B , vol.106 , Issue.40 , pp. 10388-10394
    • Dang, L.X.1
  • 15
    • 0037123079 scopus 로고    scopus 로고
    • Molecular mechanism of ion binding to the liquid/vapor interface of water
    • DOI 10.1021/jp011853w
    • 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 (Pubitemid 35281711)
    • (2002) Journal of Physical Chemistry B , vol.106 , Issue.2 , pp. 235-238
    • Dang, L.X.1    Chang, T.-M.2
  • 16
    • 72449172505 scopus 로고    scopus 로고
    • 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, 257802
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 257802
    • Levin, Y.1    Dos Santos, A.P.2    Diehl, A.3
  • 17
    • 65549134387 scopus 로고    scopus 로고
    • Polarizable Ions at Interfaces
    • Levin, Y. Polarizable Ions at Interfaces Phys. Rev. Lett. 2009, 102, 084715
    • (2009) Phys. Rev. Lett. , vol.102 , pp. 084715
    • Levin, Y.1
  • 18
    • 69549089700 scopus 로고    scopus 로고
    • 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, 084715
    • (2009) J. Chem. Phys. , vol.131 , pp. 084715
    • Wick, C.D.1
  • 19
    • 75749094385 scopus 로고    scopus 로고
    • Polarization and Charge Transfer in the Hydration of Chloride Ions
    • Zhao, Z.; Rogers, D. M.; Beck, T. L. Polarization and Charge Transfer in the Hydration of Chloride Ions J. Chem. Phys. 2010, 132, 014502
    • (2010) J. Chem. Phys. , vol.132 , pp. 014502
    • Zhao, Z.1    Rogers, D.M.2    Beck, T.L.3
  • 20
    • 67650090434 scopus 로고    scopus 로고
    • On Ion and Molecular Polarization of Halides in Water
    • Guardia, E.; Skarmoutsos, I.; Masia, M. On Ion and Molecular Polarization of Halides in Water J. Chem. Theory Comput. 2009, 5, 1449-1453
    • (2009) J. Chem. Theory Comput. , vol.5 , pp. 1449-1453
    • Guardia, E.1    Skarmoutsos, I.2    Masia, M.3
  • 21
    • 69949100811 scopus 로고    scopus 로고
    • 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
  • 22
    • 70349333519 scopus 로고    scopus 로고
    • On the Fluctuations that Drive Small Ions toward, and away from, Interfaces between Polar Liquids and Their Vapors
    • Noah-Vanhoucke, J.; Geissler, P. L. On the Fluctuations that Drive Small Ions toward, and away from, Interfaces between Polar Liquids and Their Vapors Proc. Natl. Acad. Sci. U.S.A. 2009, 106, 15125-15130
    • (2009) Proc. Natl. Acad. Sci. U.S.A. , vol.106 , pp. 15125-15130
    • Noah-Vanhoucke, J.1    Geissler, P.L.2
  • 23
    • 0942268865 scopus 로고    scopus 로고
    • An ab Initio Molecular Dynamics Study of the Aqueous Liquid-Vapor Interface
    • DOI 10.1126/science.1092787
    • Kuo, I.-F. W.; Mundy, C. J. An Ab Initio Molecular Dynamics Study of the Aqueous Liquid-Vapor Interface Science 2004, 303, 658-660 (Pubitemid 38141628)
    • (2004) Science , vol.303 , Issue.5658 , pp. 658-660
    • Kuo, I.-F.W.1    Mundy, C.J.2
  • 24
    • 34547725670 scopus 로고    scopus 로고
    • Vapor-liquid equilibria of water from first principles: Comparison of density functionals and basis sets
    • DOI 10.1080/00268970601014781, PII 769947537, Seventh Liblice Conference on the Statistical Mechanics of Liquids
    • McGrath, M. J.; Siepmann, J. I.; Kuo, I.-F. W.; Mundy, C. J. Vapor-Liquid Equilibria of Water from First Principles: Comparison of Density Functionals and Basis Sets Mol. Phys. 2006, 104, 3619-3626 (Pubitemid 47226631)
    • (2006) Molecular Physics , vol.104 , Issue.22-24 , pp. 3619-3626
    • McGrath, M.J.1    Siepmann, J.I.2    Kuo, I.-F.W.3    Mundy, C.J.4
  • 25
    • 72149094579 scopus 로고    scopus 로고
    • Interfacial Behavior of Perchlorate versus Chloride Ions in Aqueous Solutions
    • Baer, M. D.; Kuo, I.-F. W.; Bluhm, H.; Ghosal, S. Interfacial Behavior of Perchlorate versus Chloride Ions in Aqueous Solutions J. Phys. Chem. B 2009, 113, 15843-15850
    • (2009) J. Phys. Chem. B , vol.113 , pp. 15843-15850
    • Baer, M.D.1    Kuo, I.-F.W.2    Bluhm, H.3    Ghosal, S.4
  • 26
    • 63849312239 scopus 로고    scopus 로고
    • Bulk and Interfacial Aqueous Fluoride: An Investigation via First Principles Molecular Dynamics
    • Ho, M.-H.; Klein, M. L.; Kuo, I.-F. W. Bulk and Interfacial Aqueous Fluoride: An Investigation via First Principles Molecular Dynamics J. Phys. Chem. A 2009, 113, 2070-2074
    • (2009) J. Phys. Chem. A , vol.113 , pp. 2070-2074
    • Ho, M.-H.1    Klein, M.L.2    Kuo, I.-F.W.3
  • 27
    • 4043164887 scopus 로고    scopus 로고
    • Accurate Description of Van der Waals Complexes by Density Functional Theory Including Empirical Corrections
    • Grimme, S. Accurate Description of Van der Waals Complexes by Density Functional Theory Including Empirical Corrections J. Comput. Chem. 2004, 25, 1463-1473
    • (2004) J. Comput. Chem. , vol.25 , pp. 1463-1473
    • Grimme, S.1
  • 28
    • 69549116877 scopus 로고    scopus 로고
    • Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions
    • Schmidt, J.; VandeVondele, J.; Kuo, I.-F. W.; Sebastiani, D.; Siepmann, J. I.; Hutter, J.; Mundy, C. J. Isobaric-Isothermal Molecular Dynamics Simulations Utilizing Density Functional Theory: An Assessment of the Structure and Density of Water at Near-Ambient Conditions J. Phys. Chem. B 2009, 113, 11959-11964
    • (2009) J. Phys. Chem. B , vol.113 , pp. 11959-11964
    • Schmidt, J.1    Vandevondele, J.2    Kuo, I.-F.W.3    Sebastiani, D.4    Siepmann, J.I.5    Hutter, J.6    Mundy, C.J.7
  • 30
    • 78751659334 scopus 로고    scopus 로고
    • New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations
    • Kühne, T. D.; Pascal, E. K.; Jung, Y. New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations J. Phys. Chem. Lett. 2011, 2, 105-113
    • (2011) J. Phys. Chem. Lett. , vol.2 , pp. 105-113
    • Kühne, T.D.1    Pascal, E.K.2    Jung, Y.3
  • 31
    • 77957838440 scopus 로고    scopus 로고
    • Probing the Hydration Structure of Polarizable Halides: A Multiedge XAFS and Molecular Dynamics Study of the Iodide Anion
    • Fulton, J. L.; Schenter, G. K.; Baer, M. D.; Mundy, C. J.; Dang, L. X.; Balasubramanian, M. Probing the Hydration Structure of Polarizable Halides: A Multiedge XAFS and Molecular Dynamics Study of the Iodide Anion J. Phys. Chem. B 2010, 114, 12926-12937
    • (2010) J. Phys. Chem. B , vol.114 , pp. 12926-12937
    • Fulton, J.L.1    Schenter, G.K.2    Baer, M.D.3    Mundy, C.J.4    Dang, L.X.5    Balasubramanian, M.6
  • 32
    • 15344345714 scopus 로고    scopus 로고
    • Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach
    • DOI 10.1016/j.cpc.2004.12.014, PII S0010465505000615
    • VandeVondele, J.; Krack, M.; Mohamed, F.; Parrinello, M.; Chassaing, T.; Hutter, J. QUICKSTEP: Fast and Accurate Density Functional Calculations using a Mixed Gaussian and Plane Waves Approach Comput. Phys. Commun. 2005, 167, 103-128 (Pubitemid 40391124)
    • (2005) Computer Physics Communications , vol.167 , Issue.2 , pp. 103-128
    • Vandevondele, J.1    Krack, M.2    Mohamed, F.3    Parrinello, M.4    Chassaing, T.5    Hutter, J.6
  • 33
    • 34648843516 scopus 로고    scopus 로고
    • Gaussian Basis Sets for Accurate Calculations on Molecular Systems in Gas and Condensed Phases
    • VandeVondele, J.; Hutter, J. Gaussian Basis Sets for Accurate Calculations on Molecular Systems in Gas and Condensed Phases J. Chem. Phys. 2007, 127, 114105
    • (2007) J. Chem. Phys. , vol.127 , pp. 114105
    • Vandevondele, J.1    Hutter, J.2
  • 34
    • 0000160164 scopus 로고    scopus 로고
    • Separable Dual-Space Gaussian Pseudopotentials
    • Goedecker, S.; Teter, M.; Hutter, J. Separable Dual-Space Gaussian Pseudopotentials Phys. Rev. B 1996, 54, 1703-1710
    • (1996) Phys. Rev. B , vol.54 , pp. 1703-1710
    • Goedecker, S.1    Teter, M.2    Hutter, J.3
  • 35
    • 36449000062 scopus 로고
    • Nose-Hoover Chains - The Canonical Ensemble via Continous Dynamics
    • Martyna, G. J.; Klein, M. L.; Tuckerman, M. E. Nose-Hoover Chains - The Canonical Ensemble via Continous Dynamics J. Chem. Phys. 1992, 97, 2635-2643
    • (1992) J. Chem. Phys. , vol.97 , pp. 2635-2643
    • Martyna, G.J.1    Klein, M.L.2    Tuckerman, M.E.3
  • 36
    • 4243553426 scopus 로고
    • Density-Functional Exchange-Energy Approximation with Dorrect Asymptotic Behavior
    • Becke, A. D. Density-Functional Exchange-Energy Approximation with Dorrect Asymptotic Behavior Phys. Rev. A 1988, 38, 3098-3100
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 37
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density
    • Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density Phys. Rev. B 1988, 37, 785-789
    • (1988) Phys. Rev. B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 38
    • 84986519238 scopus 로고
    • The Weighted Histogram Analysis Method for Free-Energy Calculations on Biomolecules. 1. The Method
    • Kumar, S.; Bouzida, D.; Swendsen, R. H.; Kollman, P. A.; Rosenberg, J. M. The Weighted Histogram Analysis Method for Free-Energy Calculations on Biomolecules. 1. the Method J. Comput. Chem. 1992, 13, 1011-1021
    • (1992) J. Comput. Chem. , vol.13 , pp. 1011-1021
    • Kumar, S.1    Bouzida, D.2    Swendsen, R.H.3    Kollman, P.A.4    Rosenberg, J.M.5
  • 39
    • 0029633155 scopus 로고
    • The Calculation of the Potential of Mean Force using Computer Simulations
    • Roux, B. The Calculation of the Potential of Mean Force using Computer Simulations Comput. Phys. Commun. 1995, 91, 275-282
    • (1995) Comput. Phys. Commun. , vol.91 , pp. 275-282
    • Roux, B.1
  • 40
    • 0037182964 scopus 로고    scopus 로고
    • On the Transition from Surface to Interior Solvation in Iodide-Water Clusters
    • Koch, D. M.; Peslherbe, G. H. On the Transition from Surface to Interior Solvation in Iodide-Water Clusters Chem. Phys. Lett. 2002, 359, 381-389
    • (2002) Chem. Phys. Lett. , vol.359 , pp. 381-389
    • Koch, D.M.1    Peslherbe, G.H.2
  • 42
    • 4243690324 scopus 로고    scopus 로고
    • Maximally Localized Generalized Wannier Functions for Composite Energy Bands
    • Marzari, N.; Vanderbilt, D. Maximally Localized Generalized Wannier Functions for Composite Energy Bands Phys. Rev. B 1997, 56, 12847-12865
    • (1997) Phys. Rev. B , vol.56 , pp. 12847-12865
    • Marzari, N.1    Vanderbilt, D.2
  • 43
    • 18344379950 scopus 로고    scopus 로고
    • Water molecule dipole in the gas and in the liquid phase
    • Silvestrelli, P. L.; Parrinello, M. Water Molecule Dipole in the Gas and in the Liquid Phase Phys. Rev. Lett. 1999, 82, 3308-3311 (Pubitemid 129689259)
    • (1999) Physical Review Letters , vol.82 , Issue.16 , pp. 3308-3311
    • Silvestrelli, P.L.1    Parrinello, M.2
  • 44
    • 18344379950 scopus 로고    scopus 로고
    • Erratum: Water Molecule Dipole in the Gas and in the Liquid Phase [Phys. Rev. Lett. 82, 3308, (1999)]
    • Silvestrelli, P. L.; Parrinello, M. Erratum: Water Molecule Dipole in the Gas and in the Liquid Phase [Phys. Rev. Lett. 82, 3308, (1999)] Phys. Rev. Lett. 1999, 82, 5415-5415
    • (1999) Phys. Rev. Lett. , vol.82 , pp. 5415-5415
    • Silvestrelli, P.L.1    Parrinello, M.2
  • 45
    • 0000254205 scopus 로고
    • The Free Energy of Hydration of Gaseous Ions, and the Absolute Potential of the Normal Calomel Electrode
    • Latimer, W. M.; Pitzer, K. S.; Slansky, C. M. The Free Energy of Hydration of Gaseous Ions, and the Absolute Potential of the Normal Calomel Electrode J. Chem. Phys. 1939, 7, 108-111
    • (1939) J. Chem. Phys. , vol.7 , pp. 108-111
    • Latimer, W.M.1    Pitzer, K.S.2    Slansky, C.M.3
  • 46
    • 65249093814 scopus 로고    scopus 로고
    • Computational Investigation of the First Solvation Shell Structure of Interfacial and Bulk Aqueous Chloride and Iodide Ions
    • Wick, C. A.; Xantheas, S. S. Computational Investigation of the First Solvation Shell Structure of Interfacial and Bulk Aqueous Chloride and Iodide Ions J. Phys. Chem. B 2009, 113, 4141-4146
    • (2009) J. Phys. Chem. B , vol.113 , pp. 4141-4146
    • Wick, C.A.1    Xantheas, S.S.2
  • 47
    • 33344469548 scopus 로고    scopus 로고
    • Dissecting the stabilization of iodide at the air-water interface into components: A free energy analysis
    • DOI 10.1016/j.cplett.2005.12.051, PII S0009261405019482
    • Archontis, G.; Leontidis, E. Dissecting the Stabilization of Iodide at the Air-Water Interface into Components: A Free Energy Analysis Chem. Phys. Lett. 2006, 420, 199-203 (Pubitemid 43290314)
    • (2006) Chemical Physics Letters , vol.420 , Issue.1-3 , pp. 199-203
    • Archontis, G.1    Leontidis, E.2
  • 48
    • 0000153331 scopus 로고    scopus 로고
    • Surface Curvature Effects in the Aqueous Ionic Solvation of the Chloride Ion
    • Stuart, S. J.; Berne, B. J. Surface Curvature Effects in the Aqueous Ionic Solvation of the Chloride Ion J. Phys. Chem. A 1999, 103, 10300-10307 (Pubitemid 129571314)
    • (1999) Journal of Physical Chemistry A , vol.103 , Issue.49 , pp. 10300-10307
    • Stuart, S.J.1    Berne, B.J.2
  • 49
    • 33745458896 scopus 로고    scopus 로고
    • Density Functional Theory Based Molecular-Dynamics Study of Aqueous Iodide Solvation
    • Heuft, J. M.; Meijer, E. J. Density Functional Theory Based Molecular-Dynamics Study of Aqueous Iodide Solvation J. Chem. Phys. 2005, 123, 094506
    • (2005) J. Chem. Phys. , vol.123 , pp. 094506
    • Heuft, J.M.1    Meijer, E.J.2
  • 50
    • 78649804549 scopus 로고    scopus 로고
    • Effects of Nonadditive Interactions on Ion Solvation at the Water/Vapor Interface: A Molecular Dynamics Study
    • Yagasaki, T.; Saito, S.; Ohmine, I. Effects of Nonadditive Interactions on Ion Solvation at the Water/Vapor Interface: A Molecular Dynamics Study J. Phys. Chem. A 2010, 114, 12573-12584
    • (2010) J. Phys. Chem. A , vol.114 , pp. 12573-12584
    • Yagasaki, T.1    Saito, S.2    Ohmine, I.3
  • 51
    • 75749143892 scopus 로고    scopus 로고
    • Quasichemical and Structural Analysis of Polarizable Anion Hydration
    • Rogers, D. M.; Beck, T. L. Quasichemical and Structural Analysis of Polarizable Anion Hydration J. Chem. Phys. 2010, 132, 014505
    • (2010) J. Chem. Phys. , vol.132 , pp. 014505
    • Rogers, D.M.1    Beck, T.L.2


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