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Volumn 118, Issue 28, 2014, Pages 7902-7909

Accurate description of calcium solvation in concentrated aqueous solutions

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; VISCOSITY MEASUREMENT;

EID: 84904581115     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp5005693     Document Type: Article
Times cited : (139)

References (63)
  • 1
    • 0001446862 scopus 로고
    • The Chemical Composition of the Adult Human Body and Its Bearing on the Biochemistry of Growth
    • Mitchell, H. H.; Hamilton, T. S.; Steggerda, F. R.; Bean, H. W. The Chemical Composition of the Adult Human Body and Its Bearing on the Biochemistry of Growth J. Biol. Chem. 1945, 158, 625-637
    • (1945) J. Biol. Chem. , vol.158 , pp. 625-637
    • Mitchell, H.H.1    Hamilton, T.S.2    Steggerda, F.R.3    Bean, H.W.4
  • 2
    • 37149029370 scopus 로고    scopus 로고
    • Calcium Signaling
    • Clapham, D. E. Calcium Signaling Cell 2007, 131, 1047-1058
    • (2007) Cell , vol.131 , pp. 1047-1058
    • Clapham, D.E.1
  • 3
    • 0023001913 scopus 로고
    • Multiple Calcium Channels Mediate Neurotransmitter Release from Peripheral Neurons
    • Perney, T. M.; Hirning, L. D.; Leeman, S. E.; Miller, R. J. Multiple Calcium Channels Mediate Neurotransmitter Release from Peripheral Neurons Proc. Natl. Acad. Sci. U.S.A. 1986, 83, 6656-6659
    • (1986) Proc. Natl. Acad. Sci. U.S.A. , vol.83 , pp. 6656-6659
    • Perney, T.M.1    Hirning, L.D.2    Leeman, S.E.3    Miller, R.J.4
  • 4
    • 0016803961 scopus 로고
    • Calcium Regulation of Muscle Contraction
    • Szent-Györgyi, A. G. Calcium Regulation of Muscle Contraction Biophys. J. 1975, 15, 707-723
    • (1975) Biophys. J. , vol.15 , pp. 707-723
    • Szent-Györgyi, A.G.1
  • 5
    • 0034700168 scopus 로고    scopus 로고
    • Calcium Signaling and Acute Pancreatitis: Specific Response to a Promiscuous Messenger
    • Parekh, A. B. Calcium Signaling and Acute Pancreatitis: Specific Response to a Promiscuous Messenger Proc. Natl. Acad. Sci. U.S.A. 2000, 97, 12933-12934
    • (2000) Proc. Natl. Acad. Sci. U.S.A. , vol.97 , pp. 12933-12934
    • Parekh, A.B.1
  • 7
    • 84872846796 scopus 로고    scopus 로고
    • Binding Competition to the POPG Lipid Bilayer of Ca2+, Mg2+, Na+, and K+ in Different Ion Mixtures and Biological Implication
    • Mao, Y.; Du, Y.; Cang, X.; Wang, J.; Chen, Z.; Yang, H.; Jiang, H. Binding Competition to the POPG Lipid Bilayer of Ca2+, Mg2+, Na+, and K+ in Different Ion Mixtures and Biological Implication J. Phys. Chem. B 2013, 117, 850-858
    • (2013) J. Phys. Chem. B , vol.117 , pp. 850-858
    • Mao, Y.1    Du, Y.2    Cang, X.3    Wang, J.4    Chen, Z.5    Yang, H.6    Jiang, H.7
  • 8
    • 33748952992 scopus 로고    scopus 로고
    • Ion Pairing in Aqueous Calcium Chloride Solution: Molecular Dynamics Simulation and Diffraction Studies
    • Megyes, T.; Bakó, I.; Balint, S.; Grosz, T.; Radnai, T. Ion Pairing in Aqueous Calcium Chloride Solution: Molecular Dynamics Simulation and Diffraction Studies J. Mol. Liq. 2006, 129, 63-74
    • (2006) J. Mol. Liq. , vol.129 , pp. 63-74
    • Megyes, T.1    Bakó, I.2    Balint, S.3    Grosz, T.4    Radnai, T.5
  • 9
    • 84886099424 scopus 로고    scopus 로고
    • Ryanodine Receptor Calcium Release Channels: Lessons from Structure-Function Studies
    • Amador, F. J.; Stathopulos, P. B.; Enomoto, M.; Ikura, M. Ryanodine Receptor Calcium Release Channels: Lessons From Structure-Function Studies FEBS J. 2013, 280, 5456-5470
    • (2013) FEBS J. , vol.280 , pp. 5456-5470
    • Amador, F.J.1    Stathopulos, P.B.2    Enomoto, M.3    Ikura, M.4
  • 10
    • 84888241129 scopus 로고    scopus 로고
    • A Parallel G-Quadruplex-Selective Luminescent Probe for the Detection of Nanomolar Calcium(II) Ion
    • He, H.-Z.; Wang, M.; Chan, D. S.-H.; Leung, C.-H.; Lin, X.; Lin, J.-M.; Ma, D.-L. A Parallel G-Quadruplex-Selective Luminescent Probe for the Detection of Nanomolar Calcium(II) Ion Methods 2013, 64, 212-217
    • (2013) Methods , vol.64 , pp. 212-217
    • He, H.-Z.1    Wang, M.2    Chan, D.S.-H.3    Leung, C.-H.4    Lin, X.5    Lin, J.-M.6    Ma, D.-L.7
  • 12
    • 0142025560 scopus 로고
    • Structure and Dynamics of Hydrated Ions
    • Ohtaki, H.; Radnai, T. Structure and Dynamics of Hydrated Ions Chem. Rev. 1993, 93, 1157-1204
    • (1993) Chem. Rev. , vol.93 , pp. 1157-1204
    • Ohtaki, H.1    Radnai, T.2
  • 14
    • 33845378345 scopus 로고
    • Molecular Dynamics and X-Ray Investigation of an Aqueous Calcium Chloride Solution
    • Probst, M. M.; Radnai, T.; Heinzinger, K.; Bopp, P.; Rode, B. M. Molecular Dynamics and X-Ray Investigation of an Aqueous Calcium Chloride Solution J. Phys. Chem. 1985, 89, 753-759
    • (1985) J. Phys. Chem. , vol.89 , pp. 753-759
    • Probst, M.M.1    Radnai, T.2    Heinzinger, K.3    Bopp, P.4    Rode, B.M.5
  • 15
    • 0000943727 scopus 로고
    • X-Ray Diffraction Studies of Aqueous Alkaline-Earth Chloride Solutions
    • Albright, J. N. X-Ray Diffraction Studies of Aqueous Alkaline-Earth Chloride Solutions J. Chem. Phys. 1972, 56, 3783-3786
    • (1972) J. Chem. Phys. , vol.56 , pp. 3783-3786
    • Albright, J.N.1
  • 17
    • 4444247604 scopus 로고    scopus 로고
    • Solvation of Calcium Ion in Polar Solvents: An X-Ray Diffraction and ab Initio Study
    • Megyes, T.; Grosz, T.; Radnai, T.; Bakó, I.; Palinkas, G. Solvation of Calcium Ion in Polar Solvents: An X-Ray Diffraction and ab Initio Study J. Phys. Chem. A 2004, 108, 7261-7271
    • (2004) J. Phys. Chem. A , vol.108 , pp. 7261-7271
    • Megyes, T.1    Grosz, T.2    Radnai, T.3    Bakó, I.4    Palinkas, G.5
  • 18
    • 0019927295 scopus 로고
    • Environment of Ca2+ Ions in Aqueous Solvent
    • Hewish, N. A.; Neilson, G. W.; Enderby, J. E. Environment of Ca2+ Ions in Aqueous Solvent Nature 1982, 297, 138-139
    • (1982) Nature , vol.297 , pp. 138-139
    • Hewish, N.A.1    Neilson, G.W.2    Enderby, J.E.3
  • 19
    • 11344267060 scopus 로고    scopus 로고
    • Understanding the Effects of Concentration on the Solvation Structure of Ca2+ in Aqueous Solution. II: Insights into Longer Range Order from Neutron Diffraction Isotope Substitution
    • Badyal, Y. S.; Barnes, A. C.; Cuello, G. J.; Simonson, J. M. Understanding the Effects of Concentration on the Solvation Structure of Ca2+ in Aqueous Solution. II: Insights into Longer Range Order from Neutron Diffraction Isotope Substitution J. Phys. Chem. A 2004, 108, 11819-11827
    • (2004) J. Phys. Chem. A , vol.108 , pp. 11819-11827
    • Badyal, Y.S.1    Barnes, A.C.2    Cuello, G.J.3    Simonson, J.M.4
  • 20
    • 0038678109 scopus 로고    scopus 로고
    • Understanding the Effects of Concentration on the Solvation Structure of Ca2+ in Aqueous Solution. I: The Perspective on Local Structure from EXAFS and XANES
    • Fulton, J. L.; Heald, S. M.; Badyal, Y. S.; Simonson, J. M. Understanding the Effects of Concentration on the Solvation Structure of Ca2+ in Aqueous Solution. I: The Perspective on Local Structure from EXAFS and XANES J. Phys. Chem. A 2003, 107, 4688-4696
    • (2003) J. Phys. Chem. A , vol.107 , pp. 4688-4696
    • Fulton, J.L.1    Heald, S.M.2    Badyal, Y.S.3    Simonson, J.M.4
  • 23
    • 0037366128 scopus 로고    scopus 로고
    • Principles Governing Mg, Ca, and Zn Binding and Selectivity in Proteins
    • Dudev, T.; Lim, C. Principles Governing Mg, Ca, and Zn Binding and Selectivity in Proteins Chem. Rev. 2003, 103, 773-787
    • (2003) Chem. Rev. , vol.103 , pp. 773-787
    • Dudev, T.1    Lim, C.2
  • 24
    • 34548089465 scopus 로고    scopus 로고
    • Hydration Properties of Magnesium and Calcium Ions from Constrained First Principles Molecular Dynamics
    • Ikeda, T.; Boero, M.; Terakura, K. Hydration Properties of Magnesium and Calcium Ions from Constrained First Principles Molecular Dynamics J. Chem. Phys. 2007, 127, 074503-1-074503-8
    • (2007) J. Chem. Phys. , vol.127 , pp. 0745031-0745038
    • Ikeda, T.1    Boero, M.2    Terakura, K.3
  • 25
    • 0000656626 scopus 로고
    • Thermosdynamics of Aqueous Calcium-Chloride
    • Phutela, R. C.; Pitzer, K. S. Thermosdynamics of Aqueous Calcium-Chloride J. Solution Chem. 1983, 12, 201-207
    • (1983) J. Solution Chem. , vol.12 , pp. 201-207
    • Phutela, R.C.1    Pitzer, K.S.2
  • 26
    • 84882347869 scopus 로고    scopus 로고
    • Multisite Ion Models That Improve Coordination and Free Energy Calculations in Molecular Dynamics Simulations
    • Saxena, A.; Sept, D. Multisite Ion Models That Improve Coordination and Free Energy Calculations in Molecular Dynamics Simulations J. Chem. Theory Comput. 2013, 9, 3538-3542
    • (2013) J. Chem. Theory Comput. , vol.9 , pp. 3538-3542
    • Saxena, A.1    Sept, D.2
  • 27
    • 4444282928 scopus 로고    scopus 로고
    • A Biomolecular Force Field Based on the Free Enthalpy of Hydration and Solvation: The GROMOS Force-Field Parameter Sets 53A5 and 53A6
    • Oostenbrink, C.; Villa, A.; Mark, A. E.; Van Gunsteren, W. F. A Biomolecular Force Field Based on the Free Enthalpy of Hydration and Solvation: The GROMOS Force-Field Parameter Sets 53A5 and 53A6 J. Comput. Chem. 2004, 25, 1656-1676
    • (2004) J. Comput. Chem. , vol.25 , pp. 1656-1676
    • Oostenbrink, C.1    Villa, A.2    Mark, A.E.3    Van Gunsteren, W.F.4
  • 28
    • 0000080456 scopus 로고
    • Comment on Mean Force Potential for the Calcium-Chloride Ion Pair in Water [J. Chem. Phys. 99, 4229 (1993)]
    • Dang, L. X.; Smith, D. E. Comment on Mean Force Potential for the Calcium-Chloride Ion Pair in Water [J. Chem. Phys. 99, 4229 (1993)] J. Chem. Phys. 1995, 102, 3483-3484
    • (1995) J. Chem. Phys. , vol.102 , pp. 3483-3484
    • Dang, L.X.1    Smith, D.E.2
  • 29
    • 0344796204 scopus 로고
    • Ion-Water Interaction Potentials Derived from Free Energy Perturbation simulations
    • Aaqvist, J. Ion-Water Interaction Potentials Derived from Free Energy Perturbation simulations J. Phys. Chem. 1990, 94, 8021-8024
    • (1990) J. Phys. Chem. , vol.94 , pp. 8021-8024
    • Aaqvist, J.1
  • 30
    • 77950106854 scopus 로고    scopus 로고
    • Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites and Water Models
    • Bjelkmar, P.; Larsson, P.; Cuendet, M. A.; Hess, B.; Lindahl, E. Implementation of the CHARMM Force Field in GROMACS: Analysis of Protein Stability Effects from Correction Maps, Virtual Interaction Sites and Water Models J. Chem. Theory Comput. 2010, 6, 459-466
    • (2010) J. Chem. Theory Comput. , vol.6 , pp. 459-466
    • Bjelkmar, P.1    Larsson, P.2    Cuendet, M.A.3    Hess, B.4    Lindahl, E.5
  • 31
    • 84872697347 scopus 로고    scopus 로고
    • Force Fields for Divalent Cations Based on Single-Ion and Ion-Pair Properties
    • Mamatkulov, S.; Fyta, M.; Netz, R. R. Force Fields for Divalent Cations Based on Single-Ion and Ion-Pair Properties J. Chem. Phys. 2013, 138, 024505-1-024505-12
    • (2013) J. Chem. Phys. , vol.138 , pp. 0245051-02450512
    • Mamatkulov, S.1    Fyta, M.2    Netz, R.R.3
  • 32
    • 84857268098 scopus 로고    scopus 로고
    • Aqueous Solutions of Divalent Chlorides: Ions Hydration Shell and Water Structure
    • Bruni, F.; Imberti, S.; Mancinelli, R.; Ricci, M. A. Aqueous Solutions of Divalent Chlorides: Ions Hydration Shell and Water Structure J. Chem. Phys. 2012, 136, 064520-1-064520-7
    • (2012) J. Chem. Phys. , vol.136 , pp. 0645201-0645207
    • Bruni, F.1    Imberti, S.2    Mancinelli, R.3    Ricci, M.A.4
  • 33
    • 0031646313 scopus 로고    scopus 로고
    • Hydration of Beryllium, Magnesium, Calcium, and Zinc Ions Using Density Functional Theory
    • Pavlov, M.; Siegbahn, P. E. M.; Sandström, M. Hydration of Beryllium, Magnesium, Calcium, and Zinc Ions Using Density Functional Theory J. Phys. Chem. A 1998, 102, 219-228
    • (1998) J. Phys. Chem. A , vol.102 , pp. 219-228
    • Pavlov, M.1    Siegbahn, P.E.M.2    Sandström, M.3
  • 34
    • 84961983456 scopus 로고    scopus 로고
    • 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
  • 35
    • 84863696122 scopus 로고    scopus 로고
    • 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
  • 36
    • 84873899176 scopus 로고    scopus 로고
    • Aqueous Guanidinium-Carbonate Interactions by Molecular Dynamics and Neutron Scattering: Relevance to Ion-Protein Interactions
    • Vazdar, M.; Jungwirth, P.; Mason, P. E. Aqueous Guanidinium-Carbonate Interactions by Molecular Dynamics and Neutron Scattering: Relevance to Ion-Protein Interactions J. Phys. Chem. B 2013, 117, 1844-1848
    • (2013) J. Phys. Chem. B , vol.117 , pp. 1844-1848
    • Vazdar, M.1    Jungwirth, P.2    Mason, P.E.3
  • 37
    • 77957933148 scopus 로고    scopus 로고
    • Effect of Water Polarizability on the Properties of Solutions of Polyvalent Ions: Simulations of Aqueous Sodium Sulfate with Different Force Fields
    • Wernersson, E.; Jungwirth, P. Effect of Water Polarizability on the Properties of Solutions of Polyvalent Ions: Simulations of Aqueous Sodium Sulfate with Different Force Fields J. Chem. Theory Comput. 2010, 6, 3233-3240
    • (2010) J. Chem. Theory Comput. , vol.6 , pp. 3233-3240
    • Wernersson, E.1    Jungwirth, P.2
  • 38
    • 84879340380 scopus 로고    scopus 로고
    • Ion Pairing in Aqueous Lithium Salt Solutions with Monovalent and Divalent Counter-Anions
    • Pluharova, E.; Mason, P. E.; Jungwirth, P. Ion Pairing in Aqueous Lithium Salt Solutions with Monovalent and Divalent Counter-Anions J. Phys. Chem. A 2013, 117, 11766-11773
    • (2013) J. Phys. Chem. A , vol.117 , pp. 11766-11773
    • Pluharova, E.1    Mason, P.E.2    Jungwirth, P.3
  • 39
    • 0000953090 scopus 로고    scopus 로고
    • On the Effects of Truncating the Electrostatic Interactions: Free Energies of Ion Hydration
    • Kalko, S. G.; Sesé, G.; Padró, J. A. On the Effects of Truncating the Electrostatic Interactions: Free Energies of Ion Hydration J. Chem. Phys. 1996, 104, 9578-9585
    • (1996) J. Chem. Phys. , vol.104 , pp. 9578-9585
    • Kalko, S.G.1    Sesé, G.2    Padró, J.A.3
  • 42
    • 29244471731 scopus 로고    scopus 로고
    • A General Purpose Model for the Condensed Phases of Water: TIP4P/2005
    • Abascal, J. L. F.; Vega, C. A General Purpose Model for the Condensed Phases of Water: TIP4P/2005 J. Chem. Phys. 2005, 123, 234505-1-34505-12
    • (2005) J. Chem. Phys. , vol.123 , pp. 2345051-3450512
    • Abascal, J.L.F.1    Vega, C.2
  • 43
    • 0029912748 scopus 로고    scopus 로고
    • Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
    • Jorgensen, W. L.; Maxwell, D. S.; Tirado-Rives, J. Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids J. Am. Chem. Soc. 1996, 118, 11225-11236
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 11225-11236
    • Jorgensen, W.L.1    Maxwell, D.S.2    Tirado-Rives, J.3
  • 44
    • 0035913529 scopus 로고    scopus 로고
    • Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides
    • Kaminski, G. A.; Friesner, R. A.; Tirado-Rives, J.; Jorgensen, W. L. Evaluation and Reparametrization of the OPLS-AA Force Field for Proteins via Comparison with Accurate Quantum Chemical Calculations on Peptides J. Phys. Chem. B 2001, 105, 6474-6487
    • (2001) J. Phys. Chem. B , vol.105 , pp. 6474-6487
    • Kaminski, G.A.1    Friesner, R.A.2    Tirado-Rives, J.3    Jorgensen, W.L.4
  • 45
    • 84901191483 scopus 로고    scopus 로고
    • Hydration of the Chloride Ion in Concentrated Aqueous Solutions Using Neutron Scattering and Molecular Dynamics
    • in press
    • Pluharova, E.; Fischer, H. E.; Mason, P. E.; Jungwirth, P. Hydration of the Chloride Ion in Concentrated Aqueous Solutions Using Neutron Scattering and Molecular Dynamics. Mol. Phys. 2014, in press.
    • (2014) Mol. Phys.
    • Pluharova, E.1    Fischer, H.E.2    Mason, P.E.3    Jungwirth, P.4
  • 46
    • 46249092554 scopus 로고    scopus 로고
    • 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, 435-447
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 435-447
    • Hess, B.1    Kutzner, C.2    Van Der Spoel, D.3    Lindahl, E.4
  • 47
    • 0019707626 scopus 로고
    • Polymorphic Transitions in Single-Crystals - A New Molecular-Dynamics Method
    • Parrinello, M.; Rahman, A. Polymorphic Transitions in Single-Crystals-a New Molecular-Dynamics Method J. Appl. Phys. 1981, 52, 7182-7190
    • (1981) J. Appl. Phys. , vol.52 , pp. 7182-7190
    • Parrinello, M.1    Rahman, A.2
  • 48
    • 33846086933 scopus 로고    scopus 로고
    • Canonical Sampling through Velocity Rescaling
    • Bussi, G.; Donadio, D.; Parrinello, M. Canonical Sampling through Velocity Rescaling J. Chem. Phys. 2007, 126, 014101-1-014101-7
    • (2007) J. Chem. Phys. , vol.126 , pp. 0141011-0141017
    • Bussi, G.1    Donadio, D.2    Parrinello, M.3
  • 51
    • 0036140611 scopus 로고    scopus 로고
    • Determining the Shear Viscosity of Model Liquids from Molecular Dynamics Simulations
    • Hess, B. Determining the Shear Viscosity of Model Liquids from Molecular Dynamics Simulations J. Chem. Phys. 2002, 116, 209-217
    • (2002) J. Chem. Phys. , vol.116 , pp. 209-217
    • Hess, B.1
  • 53
    • 79953278625 scopus 로고    scopus 로고
    • Ion Pairing in Aqueous Electrolyte Solutions with Biologically Relevant Anions
    • Ganguly, P.; Schravendijk, P.; Hess, B.; van der Vegt, N. F. A. Ion Pairing in Aqueous Electrolyte Solutions with Biologically Relevant Anions J. Phys. Chem. B 2011, 115, 3734-3739
    • (2011) J. Phys. Chem. B , vol.115 , pp. 3734-3739
    • Ganguly, P.1    Schravendijk, P.2    Hess, B.3    Van Der Vegt, N.F.A.4
  • 55
    • 0033408146 scopus 로고    scopus 로고
    • Water Exchange on Metal Ions: Experiments and Simulations
    • Helm, L.; Merbach, A. Water Exchange on Metal Ions: Experiments and Simulations Coord. Chem. Rev. 1999, 187, 151-181
    • (1999) Coord. Chem. Rev. , vol.187 , pp. 151-181
    • Helm, L.1    Merbach, A.2
  • 56
    • 0346971122 scopus 로고    scopus 로고
    • Characterization of Dynamics and Reactivities of Solvated Ions by ab Initio Simulations
    • Hofer, T. S.; Tran, H. T.; Schwenk, C. F.; Rode, B. M. Characterization of Dynamics and Reactivities of Solvated Ions by ab Initio Simulations J. Comput. Chem. 2004, 25, 211-217
    • (2004) J. Comput. Chem. , vol.25 , pp. 211-217
    • Hofer, T.S.1    Tran, H.T.2    Schwenk, C.F.3    Rode, B.M.4
  • 57
    • 0345293281 scopus 로고    scopus 로고
    • Ultrafast Ligand Exchange Rates Determined by ab Initio QM/MM Molecular Dynamics
    • Schwenk, C. F.; Loferer, M. J.; Rode, B. M. Ultrafast Ligand Exchange Rates Determined by ab Initio QM/MM Molecular Dynamics Chem. Phys. Lett. 2003, 382, 460-465
    • (2003) Chem. Phys. Lett. , vol.382 , pp. 460-465
    • Schwenk, C.F.1    Loferer, M.J.2    Rode, B.M.3
  • 58
    • 34249669640 scopus 로고    scopus 로고
    • Effect of Temperature and Water Content on the Shear Viscosity of the Ionic Liquid 1-Ethyl-3-Methylimidazolium Bis(trifluoromethanesulfonyl)imide as Studied by Atomistic Simulations
    • Kelkar, M. S.; Maginn, E. J. Effect of Temperature and Water Content on the Shear Viscosity of the Ionic Liquid 1-Ethyl-3-Methylimidazolium Bis(trifluoromethanesulfonyl)imide as Studied by Atomistic Simulations J. Phys. Chem. B 2007, 111, 4867-4876
    • (2007) J. Phys. Chem. B , vol.111 , pp. 4867-4876
    • Kelkar, M.S.1    Maginn, E.J.2
  • 59
    • 33746915678 scopus 로고    scopus 로고
    • Parametrization of 1-Butyl-3-Methylimidazolium Hexafluorophosphate/ Nitrate Ionic Liquid for the GROMOS Force Field
    • Micaelo, N. M.; Baptista, A. M.; Soares, C. M. Parametrization of 1-Butyl-3-Methylimidazolium Hexafluorophosphate/Nitrate Ionic Liquid for the GROMOS Force Field J. Phys. Chem. B 2006, 110, 14444-14451
    • (2006) J. Phys. Chem. B , vol.110 , pp. 14444-14451
    • Micaelo, N.M.1    Baptista, A.M.2    Soares, C.M.3
  • 60
    • 33947456582 scopus 로고
    • Diffusion Coefficients for Aqueous Solutions of Calcium Chloride and Cesium Chloride at 25°C
    • Lyons, P. A.; Riley, J. F. Diffusion Coefficients for Aqueous Solutions of Calcium Chloride and Cesium Chloride at 25°C J. Am. Chem. Soc. 1954, 76, 5216-5220
    • (1954) J. Am. Chem. Soc. , vol.76 , pp. 5216-5220
    • Lyons, P.A.1    Riley, J.F.2
  • 61
    • 0024701551 scopus 로고
    • Temperature and Concentration Dependence of Viscosity of Aqueous Electrolytes from 20°C to 50°C Chlorides of Sodium(1+), Potassium(1+), Magnesium(2+), Calcium(2+), Barium(2+), Strontium(2+), Cobalt(2+), Nickel(2+), Copper(2+) and Chromium(3+)
    • Afzal, M.; Saleem, M.; Tariq Mahmood, M. Temperature and Concentration Dependence of Viscosity of Aqueous Electrolytes from 20°C to 50°C Chlorides of Sodium(1+), Potassium(1+), Magnesium(2+), Calcium(2+), Barium(2+), Strontium(2+), Cobalt(2+), Nickel(2+), Copper(2+) and Chromium(3+) J. Chem. Eng. Data 1989, 34, 339-346
    • (1989) J. Chem. Eng. Data , vol.34 , pp. 339-346
    • Afzal, M.1    Saleem, M.2    Tariq Mahmood, M.3
  • 62
    • 0035504168 scopus 로고    scopus 로고
    • Isentropic Compressibility and Viscosity of Aqueous and Methanolic Calcium Chloride Solutions
    • Wahab, A.; Mahiuddin, S. Isentropic Compressibility and Viscosity of Aqueous and Methanolic Calcium Chloride Solutions J. Chem. Eng. Data 2001, 46, 1457-1463
    • (2001) J. Chem. Eng. Data , vol.46 , pp. 1457-1463
    • Wahab, A.1    Mahiuddin, S.2
  • 63
    • 0000985393 scopus 로고
    • Tracer-Diffusion in Liquids. IV. Self-Diffusion of Calcium Ion and Chloride Ion in Aqueous Calcium Chloride Solutions
    • Wang, J. H. Tracer-Diffusion in Liquids. IV. Self-Diffusion of Calcium Ion and Chloride Ion in Aqueous Calcium Chloride Solutions J. Am. Chem. Soc. 1953, 75, 1769-1769
    • (1953) J. Am. Chem. Soc. , vol.75 , pp. 1769-1769
    • Wang, J.H.1


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