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Review of computer simulations of isotope effects on biochemical reactions: From the Bigeleisen equation to Feynman's path integral.
- K. Y. Wong, Yuqing Xu, L. Xu
- Chemistry, Medicine
- Biochimica et biophysica acta
- 1 November 2015
Enzymatic reactions are integral components in many biological functions and malfunctions. The iconic structure of each reaction path for elucidating the reaction mechanism in details is the… Expand
Chapter 5:Kinetic Isotope Effects from Hybrid Classical and Quantum Path Integral Computations
- Jiali Gao, K. Y. Wong, +5 authors Shuhua Ma
- Chemistry
- 27 March 2009
Proton, hydride and hydrogen-atom transfer reactions are ubiquitous in biological processes,1 and because of their relatively small mass, zero-point energy and quantum tunnelling are significant in… Expand
Review of Feynman’s Path Integral in Quantum Statistics: from the Molecular Schrödinger Equation to Kleinert’s Variational Perturbation Theory
- K. Y. Wong
- Mathematics
- 1 April 2014
Feynman’s path integral reformulates the quantum Schrodinger differential equation to be an integral equation. It has been being widely used to compute internuclear quantum-statistical effects on… Expand
Developing a Systematic Approach for Ab Initio Path-Integral Simulations
- K. Y. Wong
- Physics
- 5 April 2012
An ultimate level of theory in molecular simulations [e.g., molecular dynamics (MD) and Monte Carlo (MC) simulations], which can accurately reproduce or even predict many experimental values, should… Expand
Innenrücktitelbild: Characterization of the Reaction Path and Transition States for RNA Transphosphorylation Models from Theory and Experiment (Angew. Chem. 3/2012)
- K. Y. Wong, H. Gu, S. Zhang, J. Piccirilli, M. Harris, D. York
- Chemistry
- 16 January 2012
STUDY OF HYPER-RAYLEIGH SCATTERING AND TWO-PHOTON ABSORPTION INDUCED FLUORESCENCE FROM CRYSTAL VIOLET
- T. W. Chui, K. Y. Wong
- Chemistry
- 8 July 1998
Measurement of second-order nonlinear optical response of molecules by hyper-Rayleigh scattering (HRS) is often affected by the presence of two-photon excited fluorescence. For crystal violet we… Expand
Simulating biochemical physics with computers: 1. Enzyme catalysis by phosphotriesterase and phosphodiesterase; 2. Integration-free path-integral method for quantum-statistical calculations
- K. Y. Wong
- Physics
- 2008
- 5
Bond-length-alternation and the hyperpolarizabilities of a charged soliton in polyenic chains
- Z. An, K. Y. Wong
- Chemistry
- 26 June 2003
Nonlinear optical responses of a charged soliton were studied using a model charged polyenic chain. It was found that simple derivative relations exist between the spatial profile of the… Expand
Long chain-length behaviors of optical nonlinearities of substituted polyenic chains with charged topological defects
- Z. An, K. Y. Wong
- Chemistry
- 8 January 2001
The long chain-length behaviors of the static polarizability α and second hyperpolarizability γ of species of polyenic chains with various combinations of donor–acceptor substitutions and charged… Expand
Electronic state of nitrogen containing polypyridine at the interfaces with model sulfonic acid containing polymer and molecule
- K. Y. Wong, J. A. O. Smallfield, M. Fahlman, A. Epstein
- Chemistry
- 1 April 2003
We present results of an X-ray photoelectron spectroscopy (XPS) study of the interfaces between polypyridine (PPy) and model sulfonic acid containing polymer and molecule. We show that the N Is level… Expand