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- Hsueh-Kai Chang, Laurence J. Marton, Kuo Kan Liang, Ru-Chi Shieh
- Biochimica et biophysica acta
- 2009

K+ are selectively coordinated in the selectivity filter and concerted K+ and water movements in this region ensure high conduction rates in K+ channels. In channels with long pores many K+ binding sites are located intracellular to the selectivity filter (inner vestibule), but their contribution to permeation has not been well studied. We investigated this… (More)

- Nobuyuki Matubayasi, Kuo Kan Liang, Masaru Nakahara
- The Journal of chemical physics
- 2006

A statistical-mechanical treatment of the solubilization in micelle is presented in combination with molecular simulation. The micellar solution is viewed as an inhomogeneous and partially finite, mixed solvent system, and the method of energy representation is employed to evaluate the free-energy change for insertion of a solute into the micelle inside… (More)

- Shu Chun Cheng, Chaoyuan Zhu, Kuo Kan Liang, S. H. Lin, Donald G. Truhlar
- The Journal of chemical physics
- 2008

The performance of an analytical expression for algorithmic decoherence time is investigated for non-Born-Oppenheimer molecular dynamics. There are two terms in the function that represents the dependence of the decoherence time on the system parameters; one represents decoherence due to the quantum time-energy uncertainty principle and the other represents… (More)

- Michitoshi Hayashi, Ying-Jen Shiu, Kuo Kan Liang, S. H. Lin, Yuan Ron Shen
- The journal of physical chemistry. A
- 2007

A molecular theory of time-resolved sum-frequency generation (SFG) has been developed. The theoretical framework is constructed using the coupled-oscillator model in the adiabatic approximation. This theory can treat not only the vibrational spectroscopy but also vibrational dynamics. An application of this theory is also provided for estimation of the time… (More)

- M. Hayashi, Railing Chang, +6 authors S. H. Lin
- 2004

Basic theoretical treatments of quantum beats are presented using the effective Hamiltonian method and the density matrix method. To describe the states involved in quantum beats, the molecular-eigen state basis set and the zeroth order basis set are introduced. Based on these basis sets for the two-state model, the condition under which molecular coherence… (More)

- Viktor M Rozenbaum, T Ye Korochkova, Kuo Kan Liang
- Physical review. E, Statistical, nonlinear, and…
- 2007

We consider two basic types of Brownian motors which generate directed motion in a periodic asymmetric piecewise-linear potential as a result of random half-period shifts of the potential relief (flashing ratchets) or due to a temporally asymmetric unbiased force applied to the system (rocking ratchets). Analytical relationships have been derived which… (More)

- Kuo Kan Liang
- 2013

It has long been accepted that the multiple-ion single-file transport model is appropriate for many kinds of ion channels. However, most of the purely theoretical works in this field did not capture all of the important features of the realistic systems. Nowadays, large-scale atomic-level simulations are more feasible. Discrepancy between theories,… (More)

- Kuo Kan Liang, Chih-kai Lin, Huan-Cheng Chang, Michitoshi Hayashi, S. H. Lin
- The Journal of chemical physics
- 2006

In studying ultrafast electron transfer from a dye molecule to a nanosized semiconductor particle, pump-probe experiments are commonly used. In this system the electron transfer (ET) rate is faster than vibrational relaxation so that the ET rate should be described by a single-level rate constant and the probing signal (often in the form of time-resolved… (More)

- Kuo Kan Liang, Chih-kai Lin, Huan-Cheng Chang, Albert A Villaeys, Michitoshi Hayashi, S. H. Lin
- Physical chemistry chemical physics : PCCP
- 2007

In this paper we shall show how to calculate the single vibronic-level electron-transfer rate constant, which will be compared with the thermal averaged one. To apply the theoretical results to the dye-sensitized solar cells, we use a simple model to describe how we model the final state of the electron-transfer process. Numerical calculations will be… (More)

- Kuo Kan Liang
- 2013

Kuo Kan Liang 1 Research Center for Applied Sciences, Academia Sinica, 128 Academia Road, Section 2, Nankang, Taipei 115-29, Taiwan and 2 Department of Biochemical Science and Technology, National Taiwan University, No. 1, Sec. 4, Roosevelt Road, Taipei, 10617 Taiwan∗ Abstract In this work we focused on the kinetics of a one-dimensional Ising system (1DIS)… (More)

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