81. A. H.-T. Li, Y. S. Wang and S. D. Chao*, 2019:

   Molecular dynamics simulations with ab initio force fields: A review of case studies on CH4, CCl4, CHF3, and CHCl3 dimers.

   Multiscale Science Engineering, x, xxx-xxx (accepted on Dec. 14, 2018)

80. S. F. Chiu* and S. D. Chao*, 2018/7:

   Coarse-Grained Simulations Using a Multipolar Force Field Model

   Materials, 11, 1328/15.

(▲:0；SCI: 2.467；5YIF :3.325) MATERIALS SCIENCE, MULTIDISCIPLINARY（111/284)

79. Y. H. Chen and S. D. Chao*, 2018/6:

   Negative mass can be positively useful in quantum mechanics.

   J. Chin. Chem. Soc., 65, 654-666.

(▲:0；SCI: 0.935；5YIF :0.818) CHEMISTRY, MULTIDISCIPLINARY（129/166)

78. Y. H. Chen and S. D. Chao*, 2018/4:

   The kinetic energy partition method applied to a confined quantum harmonic oscillator in a one-dimensional box.

   Chin. J. Phys. (Taipei), 56, 584-592.

(▲:0；SCI: 0.514；5YIF :0.479) PHYSICS, MULTIDISCIPLINARY（67/79)

77. Y. H. Chen and S. D. Chao*, 2018/1:

   Solving many-body Schroedinger equations with kinetic energy partition method.

   Ann. Phys. (N. Y.), 388, 54-68

(▲:0；SCI: 2.465；5YIF: 2.545) PHYSICS, MULTIDISCIPLINARY（15/79)

76. S. F. Chiu, J. J. Wang, S. C. Wang, and S. D. Chao*, 2017/8:

   Enhancement of Sea Wave Potential Energy with Under-Sea Periodic Structures: A Simulation and Laboratory Study.

   Applied Sciences, 7, 782/13.

(▲:0；SCI: 1.679；5YIF :1.913) PHYSICS, APPLIED （75/148)

75. Y. C. Ho, Y. S. Wang and S. D. Chao*, 2017/8:

   Molecular dynamics simulations of fluid cyclopropane with MP2/CBS-fitted intermolecular interaction potentials.

   J. Chem. Phys., 147, 064507/9.

(▲:1；SCI: 2.965；5YIF :2.907) PHYSICS, ATOMIC, MOLECULAR & CHEMICAL （10/36)

74. Y. D. Lin, Y. S. Wang and S. D. Chao*, 2017/9:

   Comparative studies of density functionals in modelling hydrogen bonding energetics of acrylamide dimers.

   Coupled Systems Mechanics, 6, 369-376  

73. Z. Y. Zeng, Y. S. Wang and S. D. Chao*, 2017/8:

   Hydrogen bonded dimers of small alkyl substituted amides: Structures, energetics, and spectral analyses based on density functional theory calculations.

   Comp. Theo. Chem., 1113, 1-7.

  (▲:2；SCI: 1.549；5YIF :1.355) CHEMISTRY, PHYSICAL （101/146)

72. Y. H. Chen and S. D. Chao*, 2017/3:

   Kinetic energy partition method applied to ground state helium-like atoms.

   J. Chem. Phys., 146, 124120/7.

(▲:4；SCI: 2.965；5YIF :2.907) PHYSICS, ATOMIC, MOLECULAR & CHEMICAL （10/36)

71. Y. H. Chen and S. D. Chao*, 2017/6:

   The kinetic energy partition method applied to quantum eigenvalue problems with many harmonic-oscillator potentials.

   J. Math. Chem., 55, 1322-1341.

(▲:4；SCI: 1.308；5YIF :1.001) MATHEMATICS, MULTIDISCIPLINARY APPLICATIONS （50/100)

70. Y. S. Wang, K. L. Shen and S. D. Chao*, 2017/6:

   A density functional theory study of double proton transfer reactions in formamide, formamide-formic acid and formic acid dimers.

   Chin. J. Phys. (Taipei), 55, 719-728.

(▲:0；SCI: 0.514；5YIF :0.479) PHYSICS, MULTIDISCIPLINARY（67/79)

69. S. D. Chao*, 2017/3:

   Einstein’s Sigh: Hidden Symmetry in Einstein’s Derivation of the Lorentz Transformation.

   Euro. J. Phys., 38, 025601/11.

(▲:1；SCI: 0.614；5YIF :0.649) EDUCATION, SCIENTIFIC DISCIPLINES（34/41)

68. Y. H. Chen and S. D. Chao*, 2017/3:

   A split kinetic energy solution scheme applied to various delta potentials in quantum mechanical systems.

   Coupled Systems Mechanics, 6, 17-28 (2017) [ Transferred from Multiscale Multiphysics Mechanics, 1, 189-200 (2016) due to journal merging]

67. Y. S. Wang, Y. D. Lin and S. D. Chao*, 2016/12:

   Hydrogen bonding structures and energetics of acrylamide isomers, tautomers and dimers: An ab initio study and spectral analysis.

   J. Chin. Chem. Soc., 63, 968-976. [Cover picture DOI: 10.1002/jccs.201681201]

(▲:1；SCI: 0.935；5YIF :0.818) CHEMISTRY, MULTIDISCIPLINARY（129/166)

66. S. D. Chao*, 2016/9:

   Lorentz transformations from intrinsic Symmetries

   Symmetry, 8, 94/6.

(▲:0；SCI: 1.457；5YIF :1.323) SCIENCE, MULTIDISCIPLINARY（25/64)

65. A. H.-T. Li and S. D. Chao*, 2016/3:

   A Refined Intermolecular Interaction Potential for Methane: Spectral Analysis and Molecular Dynamics Simulations.

   J. Chin. Chem. Soc., 63, 282-289.

(▲:3；SCI: 0.935；5YIF :0.818) CHEMISTRY, MULTIDISCIPLINARY（129/166)

64. Y. S. Wang, C. C. Yin, and S. D. Chao*, 2014/10:

   Intermolecular interactions of trifluorohalomethanes with Lewis bases in the gas phase: An ab initio study.

   J. Chem. Phys. 141, 134308/9.

(▲:1；SCI: 2.965；5YIF :2.907) PHYSICS, ATOMIC, MOLECULAR & CHEMICAL （10/36)

63. Y.-H. Huang, J.-S. Chang*, S. D. Chao, K.-C. Wu, L.-S. Huang, 2014/9:

   Improving the Binding Efficiency of QCM Biosensors by Applying the Electrothermal Effect. Biomicrofluidics, 8, 054116/13.

(▲:3；SCI: 2.535；5YIF : 3.105) PHYSICS, FLUIDS & PLASMAS（8/31)

62. H. Mineo, S. D. Chao*, 2014/11:

   Kinetic Energy Partition Method for Competing Modes.

   J. Chin. Chem. Soc., 61, 1205-1210.

(▲:8；SCI: 0.935；5YIF :0.818) CHEMISTRY, MULTIDISCIPLINARY（129/166)

61. Y. D. Chen, A. H.-T. Li, Y. S. Wang and S. D. Chao*, 2013/12:

   Molecular dynamics simulations of liquid water structure and diffusivity.

   Chin. J. Phys. (Taipei), 51, 1218-1229.

(▲:2；SCI: 0.514；5YIF :0.479) PHYSICS, MULTIDISCIPLINARY（67/79)

60. C. C. Yin, A. H.-T. Li and S. D. Chao*, 2013/11:

   Liquid chloroform structure from computer simulation with a full ab initio intermolecular interaction potential.

   J. Chem. Phys. 139, 194501/7.

(▲:8；SCI: 2.965；5YIF :2.907) PHYSICS, ATOMIC, MOLECULAR & CHEMICAL （10/36)

59. Q. Wang, Y. A. Dyakov, D. Wu, D. D. Zhang, M. X. Jin, F. C. Liu, H. Liu, Z. Hu, D. J. Ding*, H. Mineo, Y. Teranishi, S. D. Chao, S. H. Lin, O. K. Kosheleva, A. M. Mebel*, 2013/10: Ionization/dissociation processes of methyl-substituted derivates of cyclopentanone in intense femtosecond laser field.

   Chem. Phys. Lett. 586, 21-28.

(▲:2； SCI: 1.815；5 YIF : 1.759) PHYSICS, ATOMIC, MOLECULAR & CHEMICAL（18/36）

58. H. Mineo, S. D. Chao*, T. Kato , K. Yamanouchi, 2013/10:

   Breakdown of Born-Oppenheimer Approximation as a Physical Mechanism for Ultrafast Hydrogen Migrations in Strong Laser Driven Molecules.

   J. Chin. Chem. Soc., 60, 1207-1211.

(▲:0；SCI: 0.935；5YIF :0.818) CHEMISTRY, MULTIDISCIPLINARY（129/166)

57. K. R. Huang, J. S. Chang*, S. D. Chao*, and K. C Wu, 2012/12:

   Beam model and three dimensional numerical simulations on suspended microchannel resonators. AIP Advances, 2, 042176/21.

56. Y. C. Tseng, J. S. Chang*, S. M. Lin, S. D. Chao, C. H. Liu, 2012/8: 3,4-Methylenedioxymethylamphetamine detection using a microcantilever-based biosensor. Sensors and Actuators A: Physical, 182, 163-167.

55. H. Mineo and S. D. Chao*, 2012/9:

   Split Kinetic Energy Method for Quantum Systems with Competing Potentials.

   Ann. Phys. (N. Y.), 327, 2061-2072

54. S. B. Wang, A. H.-T. Li, S. D. Chao*, 2012/4:

   Liquid properties of dimethyl ether from molecular dynamics simulations using ab initio force fields.

   J. Comp. Chem., 33, 998-1003.

53. Y. L. Niu, C. K. Lin, C. Y. Zhu*, H. Mineo, S. D. Chao, Y. Fujimura, M. Hayashi, and S. H. Lin, 2012/4:

   Density matrix method and ultrafast processes.

   Sci. China Chem., 55, 579-593.

52. K.-R. Huang, J.-S. Chang*, S. D. Chao, T.-S. Wung, and K.-C. Wu, 2012/4:

   Study of Active Micromixer Driven by Electrothermal Force.

   Japan. J. App. Phys., 51, 047002/7.

51. H. Mineo, Y. H. Wang, S. D. Chao*, S. H. Lin, 2012/3:

   Autoionization rate constants of zero electron kinetic energy Rydberg states.

   Chem. Phys., 397, 74-81.

50. H. Mineo, M. Kanno, H. Kono, S. D. Chao, S. H. Lin, Y. Fujimura*, 2012/1:

   Ultrafast Coherent Dynamics of Nonadiabatically Coupled Quasi-degenerate Excited States in Molecules: Population and Vibrational Coherence Transfers.

   Chem. Phys., 392, 136-142.

49.  Y. H. Chung, A. H.-T. Li, S. D. Chao*, 2011/8:

   Computer simulation of trifluoromethane properties with ab initio force fields.

   J. Comp. Chem., 32, 2414-2421.

48.  Y. S. Wang and S. D. Chao*, 2011/3/10:

   Structures and Energetics of Neutral and Ionic Silicon-Germanium Clusters: Density Functional Theory and Coupled Cluster Studies.

   J. Phys. Chem. A, 115, 1472-1485.

47.  Y. H. Wang, H. Mineo, S. D. Chao*, H. L. Selzle, H. J. Neusser, E. W. Schlag, Y. Teranishi, and S. H. Lin, 2011/2/14:

   A master equation approach to the dynamics of zero electron kinetic energy (ZEKE) states and ZEKE spectroscopy.

   J. Chem. Phys , 134, 064316/13.

46.  A. H.-T. Li*, S. D. Chao*, C. C. Chang, 2010/12/29:

   Determination of a silane intermolecular force field potential model from an ab initio calculation. Phys. Rev. A, 82, 062520/5.

45.  P. J. Liao, J. S. Chang*, S. D. Chao*, H. C. Chang, K. R. Huang, K. C. Wu, T. S. Wung, 2010/12:

    A Combined Experimental and Theoretical Study on the Immunoassay of Human Immunoglobulin using a Quartz Crystal Microbalance.

    Sensors, 10, 11498-11511 .

44.  H. Mineo*, Y. Teranishi*, S. D. Chao, and S. H. Lin, 2010/10/20:

    Ultrafast electronic motion in hydrogen molecular ions induced by a high power intense laser. Chem. Phys. Lett , 499, 45-50

43. Y. H. Wang, Y. Teranishi, H. Mineo, S. D. Chao*, H. L. Selzle, H. J. Neusser, E. W. Schlag, S. H. Lin, 2010/2/12 : Theoretical Studies of ZEKE Spectroscopy and Dynamics of High Rydberg States.

Chem. Phys Lett , 486, 104-109

42.      A. H.-T. Li, S. C. Huang, and S. D. Chao*, 2010/1/14 :

   Molecular dynamics simulation of liquid carbon tetrachloride using ab initio force field.

    J. Chem. Phys, 132, 024506/7.

41. S. W. Chao, A. H.-T. Li, S. D. Chao*, 2009/9:

   Molecular dynamics simulations of fluid methane properties using ab initio intermolecular interaction potentials.

   J. Comp. Chem., 30, 1839-1849

40. Q. Q. Wang, H. Mineo, D. Wu, M. X. Jin, C. H. Chin, Y. Teranishi, S. D. Chao, D. Ding*, S. H. Lin, 2009/8:

   Molecular ionization of cyclohexanone in femtosecond laser fields: An application of ADK theory.

    LASER PHYSICS., 19, 1671-1676. [Special issue to Prof. N. B. Delone]

39. Q. Q. Wang, D. Wu, D. D. Zhang, M. X. Jin, F. C. Liu, H. Liu, Z. Hu, D. J. Ding*, H. Mineo, Y. A. Dyakov, Y. Teranishi, S. D. Chao, A. M. Mebel, S. H. Lin, 2009/7/9:

   Ionization and Dissociation Processes of Pyrrolidine in Intense Femtosecond Laser Field.

   J. Phys. Chem. C, 113, 11805-11815. [Special issue to Prof. H. Masuhara]

38. A. H.-T. Li, S. D. Chao*, 2009/3/15:

   Interaction energies of dispersion-bound methane dimer from coupled cluster method at complete basis set limit.

   J. Mol. Struc.: THEOCHEM, 897, 90-94

37. Q. Q. Wang, D. Wu, M. X. Jin, F. C. Liu, F. F. Hu, X. H. Cheng, H. Liu, Z. Hu, D. J. Ding*, H. Mineo, Y. A. Dyakov, A. M. Mebel, S. D. Chao, S. H. Lin, 2008/11/28:

   Experimental and Theoretical Investigations of  Ionization/Dissociation of Cyclopentanone Molecule in a Femtosecond Laser Field.

   J. Chem. Phys., 125, 204302/15.  

36.  R. L. Chern*, S. D. Chao, 2008/10/13:

   Optimal higher-lying band gaps for photonic crystals with large dielectric contrast.

   Optics Express, 16, 16600-16608.

35. K. R. Huang, J. S. Chang*, S. D. Chao*, K. C. Wu, C. K. Yang, C. Y. Lai, S. H. Chen, 2008/9: Simulation on binding efficiency of immunoassay for a biosensor with applying electrothermal effect.

   J. App. Phys., 104, 064702/11 [Selected by Virtual Journal of Biological Physics Research]

34. C. F. Huang, S. D. Chao*, D. R. Hang* and Y. C. Lee, 2008/6:

   On the transfer matrix method and WKB approximation for Schrödinger equation with position-dependent effective mass.

   Chin. J. Phys. (Taipei), 46, 231-241

1. C. K. Yang, J. S. Chang*, S. D. Chao*, K. C. Wu, 2008/4:

Effects of diffusion boundary layer on reaction kinetics of immunoassay in a biosensor.

J. App. Phys., 103, 084702/10 [Selected by Virtual Journal of Biological Physics Research]

32. S. D. Chao* and H. Y. Peng, 2008/1:

   A theoretical study of vibronic spectra with mass analyzed threshold ionization spectroscopy.

   J. Mol. Spec. 247, 30-40

31. Y. Teranishi*, M. Hayashi, S. D. Chao, H. Mineo, and S. H. Lin, 2008:

   Highly Multiphoton Molecular Excitation by an Intense Laser Pulse.

   Mol. Phys., 106, 333-339 [Special issue to Prof. R. D. Levine]

30. C.-C. Pai, A. H.-T. Li and S. D. Chao*, 2007/11/22:

   Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Moller-Plesset perturbation theory, and density functional theory.

   J. Phys. Chem. A, 111, 11922-11929.

29. M. Sharifi, F. Kong, S. L. Chin, H. Mineo*, Y. Dyakov, A. M. Mebel, S. D. Chao*, M. Hayashi and S. H. Lin, 2007/9/27:

   Experimental and Theoretical Investigation of High-power Laser Ionization and Dissociation of Methane.

   J. Phys. Chem. A, 111, 9405-9416.

28. S. D. Chao*, A. H.-T. Li, 2007/9/27:

   Comparative performance of exchange and correlation density functionals in determining intermolecular potentials of the methane dimer.

   J. Phys. Chem. A,111, 9586-9590.

27. C. K. Yang, J. S. Chang*, S. D. Chao*, K. C. Wu, 2007/9/10:

   Two dimensional simulation on immunoassay for a biosensor with applying electrothermal effect. App. Phys. Lett., 91, 113904/3. [Selected by Virtual Journal of Biological Physics Research]

26. H. Mineo*, S. D. Chao*, K. Nagaya, K. Mishima, M. Hayashi and S. H. Lin, 2007/5/4: Rigorous Contour Integral Analysis of Generalized Keldysh Theory of Strong Laser Photoionization.

   Chem. Phys. Lett., 439, 224-230.

25. H. Mineo*, S. D. Chao*, K. Mishima, K. Nagaya, M. Hayashi and S. H. Lin, 2007/2:

   Reply to “Comments on the mathematical aspects of Keldysh’s theory of strong-field ionization”.

   Phys. Rev. A., 75, 027402/3. [Selected by Virtual Journal of Ultrafast Science]

24. S. D. Chao*, H. L. Selzle, H. J. Neusser, E. W. Schlag, L. Yao, S. H. Lin, 2007 :

   A Molecular theory of ZEKE spectroscopy.

   Z. Phys. Chem., 221, 633-646. [Special issue to Prof. E. W. Schlag]

23.  A. H.-T. Li, and S. D. Chao*, 2006:

   Intermolecular potentials of the methane dimer calculated with Moller-Plesset perturbation theory and density functional theory.

    J. Chem. Phys., 125, 094312/8.

22.  A. H.-T. Li, and S. D. Chao*, 2006:

   Comment on “Intermolecular interaction potentials of the methane dimer from the local density approximation”.

    Phys. Rev. A, 73, 016701/2.

21.  S. D. Chao*, S. H. Lin, and M. H. Alexander, 2005:

   Quantum state-to-state rate constants for the rotationally inelastic collision of CH(B 2Σ-, v=0, N->N') with Ar.

    J. Chem. Phys., 123, 194304/5.

20.  S. D. Chao*, 2005:

   Influence of intense incident electromagnetic fields on weakly bound electrons: an exact Keldysh approximation.

    Phys. Rev. A, 72, 053414/4. [Selected by Virtual Journal of Ultrafast Science]

19. S. D. Chao*, J. D. Kress, and A. Redondo*, 2005:

    Coarse-grained rigid blob model for soft matter simulations.

   J. Chem. Phys., 122, 234912/14. [Selected by Virtual Journal of Biological Physics Research]

18.  S. D. Chao, J. D. Kress, and A. Redondo*, 2004:

    An alternative multipolar expansion for intermolecular potential functions.

    J. Chem. Phys., 120, 5558-5565.

17.  D. Dai, C. C. Wang, S. A. Harich, X. Wang, X. Yang*, S. D. Chao, and R. T. Skodje, 2003:

   Interference of quantized transition-state pathways in the H+D2->D+HD chemical reaction.

   Science, 300, 1730-1734.

16. S. D. Chao, and R. T. Skodje*, 2003:

   Time delay as a tool to identify the signatures of reactive resonances.

    J. Chem. Phys., 119, 1462-1472.

15.  S. D. Chao, and R. T. Skodje*, 2002:

    Signatures of reactive resonance: three case studies.

   Theo. Chem. Acc., 108, 273-285. [Invited review article]

14.  S. A. Harich, D. X. Dai, C. C. Wang, X. Yang*, S. D. Chao, and R. T. Skodje, 2002:

   Forward scattering due to slow-down of the intermediate in the H+HD->D+H2 reaction.

   Nature, 419, 281-284. [highlighted in Nature News and Views]

13.  S. D. Chao, S. A. Harich, D. X. Dai, X. Yang, and R. T. Skodje*, 2002:

   A fully state and angle resolved study of the H+HD->D+H2 reaction: comparison of a molecular beam experiment to ab initio quantum reaction dynamics.

   J. Chem. Phys., 117, 8341-8361.

12.  S. A. Harich, D. X. Dai, X. Yang*, S. D. Chao, and R. T. Skodje, 2002:

   State-to-state dynamics of H+HD->D+H2 at 0.5 eV: a combined theoretical and experimental study.

   J. Chem. Phys., 116, 4769-4772. [Communication]

11.  T.-S. Ho*, T. Hollebeek, H. Rabitz, S. D. Chao, and R. T. Skodje, A. S. Zyubin and A. M. Mebel, 2002:

   A globally smooth ab initio potential surface of the 1A' state for the reaction S(1D)+H2.

   J. Chem. Phys., 116, 4124-4134.

10.  S. D. Chao, and R. T. Skodje*, 2001:

    The search for resonance signatures in H+D2 reaction dynamics.

   Chem. Phys. Lett., 336, 364-370.

9.    S. D. Chao, and R. T. Skodje*, 2001:

   Quasi-classical trajectory studies of the insertion reactions S(1D)+H2, HD and D2.

    J. Phys. Chem. A, 105, 2474-2484.[Special issue to Prof. A. Kupperman]

8.  A. S. Zyubin, A. M. Mebel, S. D. Chao, and R. T. Skodje*, 2001:

    Reaction dynamics of S(1D)+H2/D2 on a new ab initio potential surface.

   J. Chem. Phys., 114, 320-330.

7.    S. D. Chao, and R. T. Skodje*, 2000:

   The case for a reactive resonance in F+H2.

   J. Chem. Phys.,113,3487-3491. [Communication]

6.  S. D. Chao*, and S. H. Lin, 1999:

   An asymptotic series solution to the Schrödinger equation for a model potential.

   Euro. Phys. J. D, 7, 475-478.

5.   S. D. Chao*, and S. H. Lin, 1999:

    Calculation of the cross sections for the (n, l) changing collisions of Rydberg Hydrogen atoms with helium ions.

   Chin. J. Phy. (Taipei), 37, 442-448.

4.  S. D. Chao*, M. Hayashi, S. H. Lin, and E. W. Schlag, 1999:

   Investigation of the validity conditions of using an isolated-line approximation to the level-mixing model.

    Chem. Phys. Lett., 302, 255-261.

3.   S. D. Chao, M. Hayashi, S. H. Lin*, and E. W. Schlag, 1998:

   On the electric field effect on the dynamics of high Rydberg states of hydrogen atom and the model of ZEKE spectroscopy.

   J. Chin. Chem. Soc., 45, 491-501. [Annual Best Article Award of the CCS]

2.  S. D. Chao*, M. Hayashi, S. H. Lin, and E. W. Schlag, 1998:

   l-mixing dynamics of Rydberg states of hydrogen atom in a static electric field.

   J. Phys. B, 31, 2007-2021.

1.    S. D. Chao, S. H. Lin*, H. L. Selzle, and E. W. Schlag, 1997:

   Comment on the spontaneous emission rates of ZEKE states.

   Chem. Phys. Lett., 265, 445-448.