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Publications Influence

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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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