1. X. Song et al, Studies on Oscillating Reactions of Aldehyde Autoxidation Chinese J. Org. Chem. 6, 186(1987).

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 et al Research on the Autoxidation Oscillating Reactions of Aldehyde Chem. J. Chinese Univ. 6, 840(1994).

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]

12a. 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-H¨uckel 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]