Publications of Branka M. Ladanyi - The Journal of Physical Chemistry

Special Issue Preface pubs.acs.org/JPCB

Publications of Branka M. Ladanyi 18. Ladanyi, B. M.; Keyes, T.; Tildesley, D. J.; Streett, W. B. Structure and equilibrium optical properties of liquid CS2. Mol. Phys. 1980, 39, 645−659. 19. Ladanyi, B. M.; Keyes, T. Electro-optical properties of dilute solutions of flexible molecules; the wormlike chain model. Mol. Phys. 1981, 42, 501−521. 20. Keyes, T.; Evans, G. T.; Ladanyi, B. M. Depolarized light scattering in dilute solutions of alkanes: A comparison of the bond additive and interacting atom approximations to the molecular polarizability. J. Chem. Phys. 1981, 74, 3779−3787. 21. Ladanyi, B. M.; Keyes, T. The influence of intermolecular interactions on the Kerr constant of simple liquids. Can. J. Phys. 1981, 59, 1421−1429. 22. Chandler, D.; Silbey, R.; Ladanyi, B. M. New and proper integral equations for site−site equilibrium correlations in molecular fluids. Mol. Phys. 1982, 46, 1335−1345. 23. Ladanyi, B. M. Light scattering from dilute solutions of flexible molecules: A molecular theory of the solute− solvent interactions. J. Chem. Phys. 1982, 76, 4303−4310. 24. Ladanyi, B. M.; Keyes, T. Effective polarizabilities of nalkanes: Intramolecular interactions in solution and in the gas phase J. Chem. Phys. 1982, 76, 2047−2055. 25. Ladanyi, B. M.; Hynes, J. T. Hydrodynamic interaction effects on isomerization rates in chain molecules. J. Chem. Phys. 1982, 77, 4739−4746. 26. Ladanyi, B. M. Molecular dynamics study of Rayleigh light scattering from molecular fluids. J. Chem. Phys. 1983, 78, 2189−2203. 27. Ladanyi, B. M.; Evans, G. T. Kinetic models for stilbene photoisomerization: Comparison of theory and experiments J. Chem. Phys. 1983, 79, 944−952. 28. Dung, M. H.; Ladanyi, B. M. Theory of light scattering and propagation in dilute polymer solutions: Wormlike chain model with intrinsic and shape optical anisotropies. Macromolecules 1984, 17, 1238−1252. 29. Ladanyi, B. M. Erratum: Molecular dynamics study of Rayleigh light scattering from molecular fluids [J. Chem. Phys. 78, 2189 (1983)]. J. Chem. Phys. 1984, 81, 3755− 3755. 30. Ladanyi, B. M.; Levinger, N. E. Computer simulation of Raman scattering from molecular fluids. J. Chem. Phys. 1984, 81, 2620−2633. 31. Keyes, T.; Ladanyi, B. M. The internal field problem in depolarized light scattering. Adv. Chem. Phys. 1984, 56, 411−465. 32. Dung, M. H.; Ladanyi, B. M. Theory of propagation and scattering of light in dilute polymer solutions: Effects of solvation on the optical response of worm-like chain molecules. J. Chem. Phys. 1985, 83, 835−849. 33. Ladanyi, B. M. Higher-order interaction-induced effects on depolarized light scattering from fluids of optically

1. Keyes, T.; Ladanyi, B. “Long time tails” in finite systems. J. Chem. Phys. 1975, 62, 4787−4789. 2. Ladanyi, B. M.; Chandler, D. New type of cluster theory for molecular fluids: Interaction site cluster expansion. J. Chem. Phys. 1975, 62, 4308−4324. 3. Ladanyi, B. M.; Keyes, T. New method for the calculation of light-scattering intensities; application to depolarized scattering from simple fluids. Mol. Phys. 1976, 31, 1685−1701. 4. Ladanyi, B. M.; Keyes, T. The role of local fields and interparticle pair correlations in light scattering by dense fluids: I. Depolarized intensities due to orientational fluctuations. Mol. Phys. 1977, 33, 1063−1097. 5. Keyes, T.; Ladanyi, B. M. The role of local fields and interparticle pair correlations in light scattering by dense fluids: II. The depolarized spectrum for nonspherical molecules. Mol. Phys. 1977, 33, 1099−1107. 6. Ladanyi, B. M.; Keyes, T. The role of local fields and interparticle pair correlations in light scattering by dense fluids: III. Polarized scattering by nonspherical molecules. Mol. Phys. 1977, 33, 1247−1269. 7. Keyes, T.; Ladanyi, B. M. The role of local fields and interparticle pair correlations in light scattering by dense fluids: IV. Removal of the point-polarizability approximation. Mol. Phys. 1977, 33, 1271−1285. 8. Ladanyi, B. M.; Keyes, T. Theory of the static Kerr effect in dense fluids. Mol. Phys. 1977, 34, 1643−1659. 9. Keyes, T.; Ladanyi, B. M. Can dielectric theories or measurements be used to predict depolarized lightscattering intensities? Mol. Phys. 1977, 34, 765−771. 10. Keyes, T.; Ladanyi, B. M. Mode coupling theory for the rotational diffusion constant. Chem. Phys. Lett. 1977, 48, 463−466. 11. Keyes, T.; Ladanyi, B. M. A functional differential equation for the dielectric kernel. Mol. Phys. 1978, 36, 1845−1851. 12. Ladanyi, B. M.; Keyes, T. The intensity of light scattered by liquid CS2. J. Chem. Phys. 1978, 68, 3217−3221. 13. Ladanyi, B. M.; Keyes, T. Effect of internal fields on depolarized light scattering from n-alkane gases. Mol. Phys. 1979, 37, 1809−1821. 14. Keyes, T.; Ladanyi, B. M. The relation of the Kerr effect to depolarized Rayleigh scattering. Mol. Phys. 1979, 37, 1643−1647. 15. Keyes, T.; Ladanyi, B. M. Light scattering from two component systems; an analysis of the dilution experiment. Mol. Phys. 1979, 38, 605−610. 16. Keyes, T.; Ladanyi, B. M. Rotational diffusion in solvents with large characteristic lengths. J. Chem. Phys. 1979, 70, 5261−5263. 17. Keyes, T.; Ladanyi, B. M.; Madden, P. A. Is depolarized light scattered from simple liquids mainly doublescattered? Chem. Phys. Lett. 1979, 64, 479−484. © 2015 Branka M. Ladanyi

Special Issue: Branka M. Ladanyi Festschrift Published: July 23, 2015 8821

DOI: 10.1021/acs.jpcb.5b04728 J. Phys. Chem. B 2015, 119, 8821−8825

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50. Fonseca, T.; Ladanyi, B. M. Breakdown of linear response for solvation dynamics in methanol. J. Phys. Chem. 1991, 95, 2116−2119. 51. Buchner, M.; Ladanyi, B. M. Molecular dynamics algorithm for flexible molecules using normal coordinates. Mol. Phys. 1991, 73, 1127−1143. 52. Fonseca, T.; Ladanyi, B. M.; Hynes, J. T. Solvation free energies and solvent force constants. J. Phys. Chem. 1992, 96, 4085−4093. 53. Ladanyi, B. M.; Shemetulskis, N. E.; Loring, R. F. Electronic spectra in polar fluids: Reference hypernetted chain theory. J. Chem. Phys. 1992, 96, 8637−8638. 54. Ladanyi, B. M.; Barreau, A.; Dumon, B. Density and temperature dependence of spectral moments in depolarized light scattering by rare gases. Mol. Phys. 1992, 77, 735−767. 55. Buchner, M.; Ladanyi, B. M.; Stratt, R. M. The short-time dynamics of molecular liquids. Instantaneous-normalmode theory. J. Chem. Phys. 1992, 97, 8522−8535. 56. Ladanyi, B. M.; Skaf, M. S. Computer simulation of hydrogen-bonding liquids. Annu. Rev. Phys. Chem. 1993, 44, 335−368. 57. Skaf, M. S.; Fonseca, T.; Ladanyi, B. M. Wave vector dependent dielectric relaxation in hydrogen-bonding liquids: A molecular dynamics study of methanol. J. Chem. Phys. 1993, 98, 8929−8945. 58. Phelps, D. K.; Weaver, M. J.; Ladanyi, B. M. Solvent dynamical effects in electron transfer: Molecular dynamics simulations of reactions in methanol. Chem. Phys. 1993, 176, 575−588. 59. Fonseca, T.; Ladanyi, B. M. Computer simulation studies of electron transfer in methanol. In Ultrafast Reaction Dynamics and Solvent Ef fects, Gauduel, Y.; Rossky, P. J., Eds. AIP Publishing: Melville, NY, 1994; pp 380−392. 60. Stassen, H.; Dorfmüller, T.; Ladanyi, B. M. Molecular dynamics simulations of the depolarized light scattering spectra of liquid OCS in comparison with experiment and simulations of CO2 and CS2. J. Chem. Phys. 1994, 100, 6318−6330. 61. Fonseca, T.; Ladanyi, B. M. Solvation dynamics in methanol: Solute and perturbation dependence. J. Mol. Liq. 1994, 60, 1−24. 62. Ladanyi, B. M.; Skaf, M. S.; Liang, Y. Q. Interactioninduced contributions to spectra of polar liquids. In Collision- and Interaction-Induced Spectroscopy, Tabisz, G. C.; Neuman, M. N., Eds. Springer: Dordrecht, The Netherlands, 1995; Vol. 452, pp 143−157. 63. Ladanyi, B. M.; Stratt, R. M. Short-time dynamics of solvation: Linear solvation theory for polar solvents. J. Phys. Chem. 1995, 99, 2502−2511. 64. Skaf, M. S.; Ladanyi, B. M. Molecular dynamics simulation of the wave vector-dependent static dielectric properties of methanol−water mixtures J. Chem. Phys. 1995, 102, 6542−6551. 65. Skaf, M. S.; Ladanyi, B. M. Computer simulation of solvation dynamics in hydrogen-bonding liquids. J. Mol. Struct.: THEOCHEM 1995, 335, 181−188. 66. Ladanyi, B. M.; Liang, Y. Q. Interaction-induced contributions to polarizability anisotropy relaxation in polar liquids. J. Chem. Phys. 1995, 103, 6325−6332. 67. Ladanyi, B. M.; Skaf, M. S. Wave vector-dependent dielectric relaxation of methanol−water mixtures. J. Phys. Chem. 1996, 100, 1368−1380.

anisotropic molecules. Chem. Phys. Lett. 1985, 121, 351− 355. Ladanyi, B. M. Local fields in liquids. In Phenomena Induced by Intermolecular Interactions, Birnbaum, G., Ed. Plenum: New York, 1985; Vol. 127, pp 497−523. Ladanyi, B. M.; Hynes, J. T. Transition-state solvent effects on atom transfer rates in solution. J. Am. Chem. Soc. 1986, 108, 585−593. Ladanyi, B. M.; Barreau, A.; Chave, A.; Dumon, B.; Thibeau, M. Collision-induced light scattering by fluids of optically isotropic molecules: Comparison of results of two model studies. Phys. Rev. A 1986, 34, 4120−4130. Geiger, L. C.; Ladanyi, B. M. Higher order interactioninduced effects on Rayleigh light scattering by molecular liquids J. Chem. Phys. 1987, 87, 191−202. Zerda, T. W.; Song, X.; Jonas, J.; Ladanyi, B. M.; Geiger, L. C. Experimental and molecular dynamics study of depolarized Rayleigh scattering by O2. J. Chem. Phys. 1987, 87, 840−851. Lee, P. H.; Ladanyi, B. M. Structural and dielectric properties of dipolar hard sphere mixtures. J. Chem. Phys. 1987, 87, 4093−4099. Ladanyi, B. M.; Geiger, L. C.; Zerda, T. W.; Song, X.; Jonas, J. Experimental and molecular dynamics study of the pressure dependence of Raman spectra of oxygen. J. Chem. Phys. 1988, 89, 660−672. Geiger, L. C.; Ladanyi, B. M. Higher-order interactioninduced effects on the allowed Raman spectra of liquid CS2. J. Chem. Phys. 1988, 89, 6588−6599. Morita, T.; Ladanyi, B. M.; Hynes, J. T. Polar solvent contributions to activation parameters for model ionic reactions. J. Phys. Chem. 1989, 93, 1386−1392. Geiger, L. C.; Ladanyi, B. M. Molecular dynamics simulation study of nonlinear optical response of fluids. Chem. Phys. Lett. 1989, 159, 413−420. Barreau, A.; Chave, A.; Dumon, B.; Thibeau, M.; Ladanyi, B. M. Effects of intermolecular interactions on depolarized Rayleigh scattering intensities of fluids of linear molecules: A computer simulation study. Mol. Phys. 1989, 67, 1241−1260. Lee, P. H.; Ladanyi, B. M. Structural and dielectric properties of dipolar hard sphere mixtures: Reference hypernetted chain and perturbation theory results. J. Chem. Phys. 1989, 91, 7063−7074. Geiger, L. C.; Ladanyi, B. M.; Chapin, M. E. A comparison of models for depolarized light scattering in supercritical CO2. J. Chem. Phys. 1990, 93, 4533− 4542. Fonseca, T.; Ladanyi, B. M. Wave vector dependent static dielectric properties of associated liquids: Methanol. J. Chem. Phys. 1990, 93, 8148−8155. Ladanyi, B. M. Molecular dynamics simulations. In Molecular Dynamics in the Liquid Phase, Steele, D., Ed. Elsevier: Amsterdam, 1991. Fonseca, T.; Ladanyi, B. M. A molecular picture for ε(k) and its consequence for the energetics of ionic solvation. In Condensed Matter Physics Aspects of Electrochemistry: Proceedings of the Conference 27 August-9 September 1990, International Centre for Theoretical Physics, Trieste, Italy, Tosi, M. P.; Kornyshev, A. A., Eds. World Scientific: Singapore, 1991; pp 79−91. 8822




68. Ladanyi, B. M.; Stratt, R. M. Short-time dynamics of solvation: Relationship between polar and nonpolar solvation. J. Phys. Chem. 1996, 100, 1266−1282. 69. Ladanyi, B. M.; Klein, S. Contributions of rotation and translation to polarizability anisotropy and solvation dynamics in acetonitrile. J. Chem. Phys. 1996, 105, 1552− 1561. 70. Skaf, M. S.; Ladanyi, B. M. Molecular dynamics simulation of solvation dynamics in methanol−water mixtures. J. Phys. Chem. 1996, 100, 18258−18268. 71. Matyushov, D. V.; Schmid, R.; Ladanyi, B. M. A thermodynamic analysis of the π* and ET(30) polarity scales. J. Phys. Chem. B 1997, 101, 1035−1050. 72. Peslherbe, G. H.; Bianco, R.; Hynes, J. T.; Ladanyi, B. M. On the photodissociation of alkali-metal halides in solution. J. Chem. Soc., Faraday Trans. 1997, 93, 977− 988. 73. Matyushov, D. V.; Ladanyi, B. M. Nonlinear effects in dipole solvation. 1. Thermodynamics. J. Chem. Phys. 1997, 107, 1362−1374. 74. Matyushov, D. V.; Ladanyi, B. M. Nonlinear effects in dipole solvation. 2. Optical spectra and electron transfer activation. J. Chem. Phys. 1997, 107, 1375−1387. 75. Ladanyi, B. M. Molecular mechanisms of solvation dynamics in polar and nonpolar liquids. In Electron Transfer in Condensed Media, Kornyshev, A. A.; Tosi, M.; Ulstrup, J., Eds. World Scientific: Singapore, 1997; pp 110−129. 76. Matyushov, D. V.; Ladanyi, B. M. Cavity formation energy in hard sphere fluids: An asymptotically correct expression. J. Chem. Phys. 1997, 107, 5815−5820. 77. Ladanyi, B. M.; Parson, R. Structure and dynamics of molecular ions in clusters: I2− in flexible CO2. J. Chem. Phys. 1997, 107, 9326−9338. 78. Skaf, M.; Borin, I.; Ladanyi, B. Simulation of solvation dynamics in H-bonding solvents: Dynamics of solute− solvent H-bonds in methanol−water mixtures. Mol. Eng. 1997, 7, 457−472. 79. Ladanyi, B. M.; Stratt, R. M. Short-time dynamics of vibrational relaxation in molecular fluids. J. Phys. Chem. A 1998, 102, 1068−1082. 80. Matyushov, D. V.; Ladanyi, B. M. Dispersion solute− solvent coupling in electron transfer reactions. I. Effective potential. J. Chem. Phys. 1998, 108, 6362−6377. 81. Peslherbe, G. H.; Ladanyi, B. M.; Hynes, J. T. Trajectory study of photodissociation dynamics in the NaI(H2O) cluster system. J. Phys. Chem. A 1998, 102, 4100−4110. 82. Matyushov, D. V.; Ladanyi, B. M. Spontaneous emission and nonadiabatic electron transfer rates in condensed phases. J. Phys. Chem. A 1998, 102, 5027−5039. 83. Perng, B. C.; Ladanyi, B. M. A dielectric theory of spin− lattice relaxation for nuclei with electric quadrupole moments. J. Chem. Phys. 1998, 109, 676−684. 84. Ladanyi, B. M.; Maroncelli, M. Mechanisms of solvation dynamics of polyatomic solutes in polar and nondipolar solvents: A simulation study. J. Chem. Phys. 1998, 109, 3204−3221. 85. Ladanyi, B. M.; Perng, B. C. Computer simulation of wavevector-dependent dielectric properties of polar and nondipolar liquids. In Simulation and Theory of Electrostatic Interactions in Solution: Computational Chemistry, Biophysics, and Aqueous Solutions, Pratt, L. R.; Hummer,

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G., Eds. AIP Publishing: Melville, NY, 1999; Vol. 492, pp 250−264. Matyushov, D. V.; Ladanyi, B. M. A perturbation theory and simulations of the dipole solvation thermodynamics: Dipolar hard spheres. J. Chem. Phys. 1999, 110, 994− 1009. Perng, B. C.; Ladanyi, B. M. Longitudinal dielectric properties of molecular liquids: Molecular dynamics simulation studies of CH3CN, C6H6, and CO2. J. Chem. Phys. 1999, 110, 6389−6405. Peslherbe, G. H.; Ladanyi, B. M.; Hynes, J. T. Cluster ion thermodynamic properties: The liquid drop model revisited. J. Phys. Chem. A 1999, 103, 2561−2571. Ladanyi, B. M.; Stratt, R. M. On the role of dielectric friction in vibrational energy relaxation. J. Chem. Phys. 1999, 111, 2008−2018. Faeder, J.; Ladanyi, B. M. Molecular dynamics simulations of the interior of aqueous reverse micelles. J. Phys. Chem. B 2000, 104, 1033−1046. Kuchta, B.; Ladanyi, B. M. Monte Carlo simulations of I2− (CO2)16 and I2− (N2O)16 clusters. Minimum energy structures and solvation energy. Comput. Chem. 2000, 24, 483−488. Peslherbe, G. H.; Ladanyi, B. M.; Hynes, J. T. Free energetics of NaI contact and solvent-separated ion pairs in water clusters. J. Phys. Chem. A 2000, 104, 4533−4548. Peslherbe, G. H.; Ladanyi, B. M.; Hynes, J. T. Structure of NaI ion pairs in water clusters. Chem. Phys. 2000, 258, 201−224. Ladanyi, B. M. Mechanistic studies of solvation dynamics in liquids. In Theoretical Methods in Condensed Phase Chemistry, Schwartz, S. D., Ed. Kluwer Academic Publishers: Dordrecht, The Netherlands, 2000; Vol. 5, pp 207−233. Faeder, J.; Ladanyi, B. M. Solvation dynamics in aqueous reverse micelles: A computer simulation study. J. Phys. Chem. B 2001, 105, 11148−11158. Perng, B. C.; Sasaki, S.; Ladanyi, B. M.; Everitt, K. F.; Skinner, J. L. A new intermolecular potential for liquid oxygen. Chem. Phys. Lett. 2001, 348, 491−496. Everitt, K. F.; Skinner, J. L.; Ladanyi, B. M. Vibrational energy relaxation in liquid oxygen (revisited) and in liquid nitrogen. J. Chem. Phys. 2002, 116, 179−183. Ladanyi, B. M.; Perng, B. C. Solvation dynamics in dipolar-quadrupolar mixtures: A computer simulation study of dipole creation in mixtures of acetonitrile and benzene. J. Phys. Chem. A 2002, 106, 6922−6934. Paolantoni, M.; Ladanyi, B. M. Polarizability anisotropy relaxation in liquid ethanol: A molecular dynamics study. J. Chem. Phys. 2002, 117, 3856−3873. Deng, Y. Q.; Ladanyi, B. M.; Stratt, R. M. High-frequency vibrational energy relaxation in liquids: The foundations of instantaneous-pair theory and some generalizations. J. Chem. Phys. 2002, 117, 10752−10767. Faeder, J.; Albert, M. V.; Ladanyi, B. M. Molecular dynamics simulations of the interior of aqueous reverse micelles: A comparison between sodium and potassium counterions. Langmuir 2003, 19, 2514−2520. Ladanyi, B. M. Computer simulation studies of solvation dynamics in mixtures. In Novel Approaches to the Structure and Dynamics of Liquids: Experiments, Theories and Simulations, Samios, J.; Durov, V. A., Eds. Kluwer DOI: 10.1021/acs.jpcb.5b04728 J. Phys. Chem. B 2015, 119, 8821−8825


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118. Elola, M. D.; Ladanyi, B. M. Molecular dynamics study of polarizability anisotropy relaxation in aromatic liquids and its connection with local structure. J. Phys. Chem. B 2006, 110, 15525−15541. 119. Chowdhary, J.; Ladanyi, B. M. Water-hydrocarbon interfaces: Effect of hydrocarbon branching on interfacial structure. J. Phys. Chem. B 2006, 110, 15442−15453. 120. Elola, M. D.; Ladanyi, B. M. Computational study of structural and dynamical properties of formamide−water mixtures. J. Chem. Phys. 2006, 125, 184506. 121. Ladanyi, B. M.; Elola, M. D. Polarizability anisotropy dynamics in one- and two-component aromatic liquids. In Trends and Perspectives in Modern Computational Science: Selected Papers f rom the International Conference of Computational Methods in Sciences and Engineering 2006, Maroulis, G.; Simos, T. E., Eds. Brill Academic Publishers: Leiden, The Netherlands, 2006; Vol. 6, pp 196−208. 122. Elola, M. D.; Ladanyi, B. M. Intermolecular polarizability dynamics of aqueous formamide liquid mixtures studied by molecular dynamics simulations. J. Chem. Phys. 2007, 126, 084504. 123. Ladanyi, B. M. Solvation dynamics. In Continuum Solvation Models in Chemical Physics: From Theory to Applications, Mennucci, B.; Cammi, R., Eds. John Wiley & Sons: Chichester, UK, 2007. 124. Harpham, M. R.; Levinger, N. E.; Ladanyi, B. M. An investigation of water dynamics in binary mixtures of water and dimethyl sulfoxide. J. Phys. Chem. B 2008, 112, 283−293. 125. Chowdhary, J.; Ladanyi, B. M. Surface fluctuations at the liquid−liquid interface. Phys. Rev. E 2008, 77, 031609. 126. Chowdhary, J.; Ladanyi, B. M. Water/hydrocarbon interfaces: Effect of hydrocarbon branching on singlemolecule relaxation. J. Phys. Chem. B 2008, 112, 6259− 6273. 127. Chowdhary, J.; Ladanyi, B. M. Computer simulation study of water/hydrocarbon interfaces: Effects of hydrocarbon branching on interfacial properties. J. Phys.: Conf. Ser. 2009, 177, 012002. 128. Chowdhary, J.; Ladanyi, B. M. Hydrogen bond dynamics at the water/hydrocarbon interface. J. Phys. Chem. B 2009, 113, 4045−4053. 129. Chowdhary, J.; Ladanyi, B. M. Molecular dynamics simulation of aerosol-OT reverse micelles. J. Phys. Chem. B 2009, 113, 15029−15039. 130. Pieniazek, P. A.; Lin, Y. S.; Chowdhary, J.; Ladanyi, B. M.; Skinner, J. L. Vibrational spectroscopy and dynamics of water confined inside reverse micelles. J. Phys. Chem. B 2009, 113, 15017−15028. 131. Ladanyi, B. M. Properties of nanoconfined water. In Water and Life: The Unique Properties of H2O, LyndenBell, R. M.; Morris, S. C.; Barrow, J. D.; Finney, J. L.; Harper, C. L., Eds. CRC Press: Boca Raton, FL, 2010. 132. Chowdhary, J.; Ladanyi, B. M. Molecular simulation study of water mobility in aerosol-OT reverse micelles. J. Phys. Chem. A 2011, 115, 6306−6316. 133. Milischuk, A. A.; Ladanyi, B. M. Structure and dynamics of water confined in silica nanopores. J. Chem. Phys. 2011, 135, 174709. 134. Milischuk, A. A.; Krewald, V.; Ladanyi, B. M. Water dynamics in silica nanopores: The self-intermediate scattering functions. J. Chem. Phys. 2012, 136, 224704.

Academic Publishers: Dordrecht, The Netherlands, 2004; Vol. 133, pp 305−321. Nugent, S.; Ladanyi, B. M. The effects of solute−solvent electrostatic interactions on solvatochromic shifts in supercritical CO2. J. Chem. Phys. 2004, 120, 874−884. Harpham, M. R.; Ladanyi, B. M.; Levinger, N. E.; Herwig, K. W. Water motion in reverse micelles studied by quasielastic neutron scattering and molecular dynamics simulations. J. Chem. Phys. 2004, 121, 7855− 7868. Martins, L. R.; Skaf, M. S.; Ladanyi, B. M. Solvation dynamics at the water/zirconia interface: Molecular dynamics simulations. J. Phys. Chem. B 2004, 108, 19687−19697. Ingrosso, F.; Ladanyi, B. M.; Mennucci, B.; Elola, M. D.; Tomasi, J. Solvation dynamics in acetonitrile: A study incorporating solute electronic response and nuclear relaxation. J. Phys. Chem. B 2005, 109, 3553−3564. Faeder, J.; Ladanyi, B. M. Solvation dynamics in reverse micelles: The role of headgroup-solute interactions. J. Phys. Chem. B 2005, 109, 6732−6740. Elola, M. D.; Ladanyi, B. M. Investigation of benzenehexafluorobenzene dynamics in liquid binary mixtures. J. Chem. Phys. 2005, 122, 224508. Elola, M. D.; Ladanyi, B. M. Polarizability response in polar solvents: Molecular-dynamics simulations of acetonitrile and chloroform. J. Chem. Phys. 2005, 122, 224506. Harpham, M. R.; Ladanyi, B. M.; Levinger, N. E. The effect of the counterion on water mobility in reverse micelles studied by molecular dynamics simulations. J. Phys. Chem. B 2005, 109, 16891−16900. Elola, M. D.; Ladanyi, B. M.; Scodinu, A.; Loughnane, B. J.; Fourkas, J. T. Effects of molecular association on polarizability relaxation in liquid mixtures of benzene and hexafluorobenzene. J. Phys. Chem. B 2005, 109, 24085− 24099. Ladanyi, B. M.; Elola, M. D. Polarizability anisotropy dynamics in water-formamide mixtures. In Recent Progress in Computational Sciences and Engineering, Simos, T.; Maroulis, G., Eds. CRC Press: Boca Raton, FL, 2006; Vol. 7A−B, pp 1107−1112. Ladanyi, B. M.; Nugent, S. The effects of solute−solvent electrostatic interactions on solvation dynamics in supercritical CO2. J. Chem. Phys. 2006, 124, 044505. Koch, D. M.; Timerghazin, Q. K.; Peslherbe, G. H.; Ladanyi, B. M.; Hynes, J. T. Nonadiabatic trajectory studies of NaI(H2O)n photodissociation dynamics. J. Phys. Chem. A 2006, 110, 1438−1454. Ingrosso, F.; Ladanyi, B. M.; Mennucci, B.; Scalmani, G. Solvation of coumarin 153 in supercritical fluoroform. J. Phys. Chem. B 2006, 110, 4953−4962. Ladanyi, B. M.; Levinger, N. E. Water mobility in reverse micelles studied by quasielastic neutron scattering and molecular dynamics simulation. In Dynamics in Small Conf ining Systems VIII: 2005 MRS Fall Meeting, Fourkas, J. T.; Levitz, P.; Overney, R.; Urbakh, M., Eds. Materials Research Society: Warrendale, PA, 2006; Vol. 899, pp 0899-N0805-0801. Ingrosso, F.; Ladanyi, B. M. Solvation dynamics of C153 in supercritical fluoroform: A simulation study based on two-site and five-site models of the solvent. J. Phys. Chem. B 2006, 110, 10120−10129. 8824




135. Lupi, L.; Comez, L.; Paolantoni, M.; Fioretto, D.; Ladanyi, B. M. Dynamics of biological water: Insights from molecular modeling of light scattering in aqueous trehalose solutions. J. Phys. Chem. B 2012, 116, 7499− 7508. 136. Milischuk, A. A.; Ladanyi, B. M. Erratum: “Structure and dynamics of water confined in silica nanopores” [J. Chem. Phys. 135, 174709 (2011)]. J. Chem. Phys. 2012, 137, 029903. 137. Lupi, L.; Comez, L.; Paolantoni, M.; Perticaroli, S.; Sassi, P.; Morresi, A.; Ladanyi, B. M.; Fioretto, D. Hydration and aggregation in mono- and disaccharide aqueous solutions by gigahertz-to-terahertz light scattering and molecular dynamics simulations. J. Phys. Chem. B 2012, 116, 14760−14767. 138. Ingrosso, F.; Ladanyi, B. M. Intermolecular structure and collective dynamics of supercritical fluoroform studied by molecular dynamics simulations. J. Phys. Chem. B 2013, 117, 654−667. 139. Ladanyi, B. M. Computer simulation studies of counterion effects on the properties of surfactant systems. Curr. Opin. Colloid Interface Sci. 2013, 18, 15−25. 140. Milischuk, A. A.; Ladanyi, B. M. Polarizability anisotropy relaxation in nanoconfinement: Molecular simulation study of acetonitrile in silica pores. J. Phys. Chem. B 2013, 117, 15729−15740. 141. Milischuk, A. A.; Ladanyi, B. M. Polarizability anisotropy relaxation in nanoconfinement: Molecular simulation study of water in cylindrical silica pores. J. Chem. Phys. 2014, 141, 18C513. 142. Sun, X.; Ladanyi, B. M.; Stratt, R. M. Effects of electronic-state-dependent solute polarizability: Application to solute-pump/solvent-probe spectra. J. Phys. Chem. B 2015. DOI: 10.1021/jp509021c.

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