Publications

  1. X. Song, Y. Zhang, H. Zhao, X. Lu, Y. Luo and X. Zhao, Autoxidation Oscillating Reaction of Aldehydes, Chinese J. Org. Chem.7, 186(1987). [PDF]
  2. X. Song and A.A. Stuchebrukhov, Outer-sphere Electron Transfer in Polar Solvents: Quantum Scaling of Strongly Interacting Systems J. Chem. Phys. 99, 969(1993). [PDF]
  3. X. Song and R.A. Marcus, Quantum Correction for Electron Transfer Rates: Comparison of Polarizable versus Nonpolarizable Descriptions of Solvent J. Chem. Phys. 99, 7768(1993). [PDF]
  4. X. Song, Y. Bao, R.S. Urdahl, J.N. Gosine and W.M. Jackson, Laser-induced Fluorescence studies of C3 Formation and Isomerization in the 193 nm Photolysis of Allene and Propyne Chem. Phys. Lett. 217, 216 (1994) [PDF]
  5. A.A. Stuchebrukhov and X. Song, Quantum Effects in Electron Transfer Reactions with Strong Electronic Coupling J. Chem. Phys. 101, 9354(1994). [PDF]
  6. X. Song, Y. Zhang, N. Jiao, J. Cui, X. Yang, Z. Shang, K. Ma, H. Zhao, Y. Zang and X. Zhao, Research on the Autoxidation Oscillating Reactionsof Aldehydes, Chem. J. Chinese Univ.15, 840(1994). [PDF]
  7. X. Song, D. Chandler and R.A. Marcus, Gaussian Field Model in Dielectric Solvation Dynamics J. Phys. Chem. 100, 11954(1996). [PDF]
  8. C.P. Hsu, X. Song and R.A. Marcus, Time-Dependent Stokes Shift and its Calculation from Solvent Dielectric Dispersion Data J. Phys. Chem. 101, 2546(1997). [PDF]
  9. X. Song and D. Chandler, Dielectric Solvation Dynamics of Molecules of Arbitrary Shape and Charge Distribution J. Chem. Phys. 108,2594(1998).[PDF]
  10. H. Wang, X. Song, D. Chandler and W.H. Miller, Semiclassical Study of Electronically Nonadiabatic Dynamics in the Condensed-Phase: Spin-Boson Problem with Debye Spectral Density J. Chem. Phys. 110,4828(1999). [PDF]
  11. M.J. Lang, X.J. Jordanides, X. Song and G.R. Fleming, Aqueous Solvation Dynamics Studied by Photo Echo Spectroscopy J. Chem. Phys. 110, 5884(1999). [PDF]
  12. X.J. Jordanides, M.J. Lang, X. Song and G.R. Fleming, Solvation Dynamics in Protein Environments Studied by Photo Echo Spectroscopy J. Phys. Chem. B 103, 7995(1999). [PDF]
    1. X. Song, Theoretical Studies of Dielectric Solvation Dynamics, in Treatment of Electrostatic Interactions in Computer Simulations of Condensed Media ed. by G. Hummer and L.R. Pratt, pp417-428(1999). [PDF]
  13. Z.G. Yu, X. Song and D. Chandler, Polarizability Fluctuations in Dielectric Materials with Quenched Disorder, Phys. Rev. E 62, 4698(2000). [PDF]
  14. X. Song and D. Chandler, Dielectric Response of a Polarizable System with Quenched Disorder, Phys. Rev. E 62, 7949(2000). [PDF]
  15. Hyung-June Woo and Xueyu Song, Functional integral formulations for classical fluids, J. Chem. Phys. 114, 5637(2001). [PDF]
  16. Hyung-June Woo and Xueyu Song, Freezing and orientational order in weakly anisotropic fluids, Phys. Rev. E 63, 051501(2001). [PDF]
  17. Z.G. Yu and X. Song, Variable Range Hopping and Electrical Conductivity along DNA Double Helix, Phys. Rev. Lett. 86, 6018(2001). [PDF]
  18. Hyung-June Woo and X. Song, Self-consistent theory of orientational order and fluid-solid equilibria in weakly anisotropic fluids J. Chem. Phys.116, 4587(2002). [PDF]
  19. J.R. Morris and X. Song, The melting lines of model systems calculated from coexistence simulations, J. Chem. Phys.116, 9352(2002). [PDF]
  20. X. Song, An inhomogeneous model of protein dielectric properties: Intrinsic polarizabilities of amino acids, J. Chem. Phys.116, 9359(2002). [PDF]
  21. X. Song, The Role of Anisotropic Interactions in Protein Crystallization, Phys. Rev. E 66, 011909(2002). [PDF]
  22. X. Song, The Extent of Anisotropic Interactions Between Protein Molecules in Electrolyte Solutions, Mol. Simul. 29, 643(2003). [PDF]
  23. X. Song and J.R. Morris, Accurate method to calculate liquid and solid free energies for embedded atom potentials, Phys. Rev. B 67, 092203(2003). [PDF]
  24. J.R. Morris and X. Song, The anisotropic free energy of the Lennard-Jones crystal-melt interface, J. Chem. Phys.,119, 3920(2003). [PDF]
  25. X. Song and X. Zhao, The Van der Waals interaction between protein molecules in an electrolyte solution, J. Chem. Phys.120, 2005(2004) [PDF]
  26. V.B. Warshavsky and X. Song, Calculation of free energies in liquid and solid phases: fundamental measure density functional approach, Phys. Rev. E, 69, 06113(2004). [PDF]
  27. P. K. Chowdhury, M. Halder, L. Sanders, R. A. Arnold, Y. Liu, D. W. Armstrong, S. Kundu, M. S. Hargrove, X. Song, and J. W. Petrich, The Complex of Apo-myoglobin with the Fluorescent Dye, Coumarin 153 , Photochem. Photobio.,79, 440(2004). [PDF]
  28. P. K. Chowdhury, M. Halder, L. Sanders, T. Calhoun, J. L. Anderson, D. W. Armstrong, X. Song, and J. W. Petrich, Dynamic Solvation in Room Temperature Ionic Liquids, J. Phys. Chem. B, 108, 10245(2004). [PDF]
  29. Y. Mu, A. Houk and X. Song, Anisotropic interfacial free energies of the hard-sphere crystal-melt interfaces, J. Phys. Chem. B ,109,6500(2005). [PDF]
  30. Y. Mu and X. Song, Calculations of crystal-melt interfacial free energies by nonequilibrium work measurements , J. Chem. Phys. ,124,034712(2006). [PDF]
  31. V.B. Warshavsky and X. Song, Fundamental measure density functional theory study of crystal/melt interface of the hard spheres system , Phys. Rev. E, 73, 031110(2006). [PDF]
  32. Headley, L. S.; Mukherjee, P.; Anderson, J. L.; Ding, R.; Halder, M.; Armstrong, D. W.; Song, X.; Petrich, J. W., Dynamic Solvation in Imidazolium-Based Ionic Liquids on Short Time Scales , J. Phys. Chem. B, 110, 9549(2006). [PDF]
  33. Halder, M.; Headley, L. S.; Mukherjee, P.; Song, X.; Petrich, J. W., Experimental and Theoretical Investigations of Solvation Dynamics of Ionic Fluids: Appropriateness of Dielectric Theory and the Role of DC Conductivity , J. Phys. Chem. B, 110, 8623(2006). [PDF]
  34. Y. Mu and X. Song, Calculations of crystal-melt interfacial free energies of hard-dumbbell systems, Phys. Rev. E ,74,031611(2006). [PDF]
  35. M. Halder, P. Mukherjee, S. Bose, M.S. Hargrove, X. Song and J.W. Petrich, Solvation dynamics in protein environments: Comparison of fluorescence upconversion measurements of coumarin 153 in monomeric hemeproteins with molecular dynamics simulations, J. Chem. Phys. ,127,055101(2007). [PDF]
  36. V.B. Warshavsky and X. Song, Theoretical studies of the correlations in binary hard-sphere solid mixtures , Phys. Rev. E, 77, 051106(2008). [PDF]
  37. V.B. Warshavsky and X. Song, Fundamental measure density functional theory studies on the freezing of binary hard-sphere and Lennard - Jones mixtures , J. Chem. Phys., 129, 034506(2008). [PDF]
  38. V.B. Warshavsky and X. Song, Phase diagrams of alloys calculated from a density functional theory, Phys. Rev. B, 79, 014101(2009). [PDF]
  39. S. Bose, R. Adhikary, P. Mukherjee, X. Song, and J.W. Petrich, Considerations for the Construction of the Solvation Correlation Function and Implications for the Interpretation of Dielectric Relaxation in Proteins, J. Phys. Chem. B 113, 11049(2009). [PDF]
  40. X. Song,Solvation dynamics in ionic fluids: An extended Debye-Huckel dielectric continuum model, J. Chem. Phys. 131, 044503(2009). [PDF]
  41. V.B. Warshavsky and X.Song, Perturbation theory for solid–liquid interfacial free energies, J. Phys. Condens. Matter, 22, 364112(2010). [PDF]
  42. B. Kim, J. Song and X. Song, Calculations of the binding affinities of protein-protein complexes with the fast multipole method, J. Chem. Phys. 133, 095101(2010). [PDF]
  43. B. Kim and X. Song,Calculations of the Second Virial Coefficients of Protein Solutions with an Extended Fast Multipole Method, Phys. Rev. E 83, 011915(2011). [PDF]
  44. S. Bose, R. Adhikary, C. Barnes, D. Fulton, M. Hargrove, X. Song and J. W. Petrich, Comparison of the Dielectric Response Obtained from Fluorescence Upconversion Measurements and Molecular Dynamics Simulations for Coumarin 153-Apomyoglobin Complexes and Structural Analysis of the Complexes by NMR and Fluorescence Methods, J. Phys. Chem. A 115, 3630(2011). [PDF]
  45. T. Xiao and X. Song, A molecular Debye-Huckel theory and its applications to electrolyte solutions, J. Chem. Phys. 135, 104104(2011). [PDF]
  46. V.B. Warshavsky and X. Song, Perturbation theory of solid-liquid interfacial free energies of bcc metals, Phys. Rev. E, 86,031602 (2012). [PDF]
  47. T. Xiao and X. Song, Reorganization energy of electron transfer processes in ionic fluids:a molecular Debye-Huckel approach , J. Chem. Phys., 138,114105(2013). [PDF]
  48. T. Xiao and X. Song, A molecular Debye-Huckel approach to the reorganization energy of electron transfer reactions in an electric cell,  J. Chem. Phys.,141,134104 (2014). [PDF]
  49. K. G. S. H. Gunawardana, S. R. Wilson, and M. I. Mendelev and X. Song, Theoretical calculation of the melting curve of Cu-Zr alloys, Phys. Rev. E, 90, 052403(2014). [PDF]
  50. K. G. S. H. Gunawardana and X. Song, Free Energy Calculations of Crystalline Hard Sphere Complexes Using Density Functional Theory, J.Phys. Chem. B,119,9160(2015). [PDF]
  51. K. Santra, J. Zhan, X. Song, E. A. Smith, N. Vaswani and J. W. Petrich, What Is the Best Method to Fit Time-Resolved Data? A Comparison of the Residual Minimization and the Maximum Likelihood Techniques As Applied to Experimental Time-Correlated, Single-Photon Counting Data, J. Phys. Chem. B, 120, 2484(2016). [PDF]
  52. K. Santra, E.A. Smith, J.W. Petrich, and X. Song, Photon Counting Data Analysis: Application of the Maximum Likelihood and Related Methods for the Determination of Lifetimes in Mixtures of Rose Bengal and Rhodamine B, J. Phys. Chem. A, 121, 122(2017). [PDF]
  53. T. Xiao and X. Song, A molecular Debye-Huckel theory and its applications to electrolyte solutions: The size asymmetric case.,  J. Chem. Phys.,146,124118 (2017). [PDF]
  54. T. Xiao and X. Song, A molecular Debye-Huckel theory of solvation in polar fluids:An extension of the Born model, J. Chem. Phys. 147, 214502(2017). [PDF]
  55. K. G. S. H. Gunawardana and X. Song, Theoretical Prediction of Crystallization Kinetics of a supercooled Lennard-Jones Fluid, J. Chem. Phys. 148, 204506(2018). [PDF]
  56. K. Santra, E.A. Smith, X. Song and J.W. Petrich, A Bayesian Approach for Extracting Fluorescence Lifetimes from Sparse Data Sets and Its Significance for Imaging Experiments, Photochem. Photobio., 95,773(2019). [PDF]
  57. K. G. S. H. Gunawardana and X. Song, Response to “Comment on ‘Theoretical prediction of crystallization kinetics of a supercooled Lennard-Jones fluid’” [J. Chem. Phys. 151, 017101 (2019)], J. Chem. Phys. 151, 017102(2019). [PDF]
  58. D. Ballal, Q. Lu, M. Raju and X. Song, Studying vapor-liquid transition using a generalized ensemble, J. Chem. Phys. 151, 134108(2019). [PDF]
  59. A.K. Singh, K. Santra, X. Song, J.W. Petrich, and E.A. Smith, Spectral Narrowing Accompanies Enhanced Spatial Resolution in Saturated Coherent Anti-Stokes Raman Scattering (CARS):Comparisons of Experiment and Theory, J.Phys. Chem. A, 124,4305(2020). [PDF]
  60. T. Xiao and X. Song, A systematic way to extend the Debye-Huckel theory beyond dilute electrolyte solutions, J. Phys. Chem. A, 125, 2173(2021). [PDF]
  61. K. Santra, V. Nguyen, E. A. Smith, J. W. Petrich and X. Song, Localization of nonblinking point-sources using higher-order-mode detection and optical heterodyning: Developing a strategy for extending the scope of molecular, super-resolution imaging, J. Phys. Chem. B, 125,3092(2021). [PDF]
  62. TJ Xiao and X. Song, A Gaussian field approach to the planar electric-double layer structures in electrolyte solutions, J. Chem. Phys. 158, 174104(2023). [PDF]
  63. V. Nguyen and X. Song, Automated characterization of spatial and dynamical heterogeneity in supercooled liquids via implementation of Machine Learning, J. Phys. Con. Matt. 35, 465401(2023). [PDF]