- Chang HK, Marton LJ, Liang KK, Shieh RC. K+ binding in the G-loop and water cavity facilitates Ba2+ movement in the Kir2.1 channel. Biochim Biophys Acta. 2009; 1788(2): 500-6
- Cheng SC, Zhu C, Liang KK, Lin SH, Truhlar DG. Algorithmic decoherence time for decay-of-mixing non-Born-Oppenheimer dynamics. J Chem Phys. 2008; 129(2): 024112
- Liang KK, Lin CK, Chang HC, Villaeys AA, Hayashi M, Lin SH. Calculation of the vibrationally non-relaxed photo-induced electron transfer rate constant in dye-sensitized solar cells. Phys Chem Chem Phys. 2007; 9(7): 853-61
- Hayashi M, Shiu YJ, Liang KK, Lin SH, Shen YR. Theory of time-resolved sum-frequency generation and its applications to vibrational dynamics of water. J Phys ChemA. 2007; 111(37): 9062-9
- Matubayasi N, Liang KK, Nakahara M. Free-energy analysis of solubilization in micelle. J Chem Phys. 2006; 124(15): 154908
- Liang KK, Lin CK, Chang HC, Hayashi M, Lin SH. Theoretical treatments of ultrafast electron transfer from adsorbed dye molecule to semiconductor nanocrystallinesurface. J Chem Phys. 2006; 125(15): 154706