Publications
A Theory for Treating Spatially-dependent Friction in Classical Activated Rate Processes. The Journal of Chemical Physics. 1992 ;97:5908-5910.
. Semiclassical Theory of Fermi Resonance between Stretching and Bending Modes in Polyatomic Molecules. The Journal of Chemical Physics. 1985 ;82:4064-4072.
. A Multiscale Description of Biological Active Matter: The Chemistry Underlying Many Life Processes. Acc. Chem. Res. 2017 ;50.
. An Effective Golden Rule Decay Rate Expression for Quasidissipative IVR Processes. The Journal of Chemical Physics. 1988 ;88:5547-5552.
. Computer Simulation of Proton Solvation and Transport in Aqueous and Biomolecular Systems. Acc Chem Res. 2006 ;39:143-50.
. A Feynman Path Integral Formulation of Quantum Mechanical Transition State Theory. In: New Trends in Kramers' Reaction Rate Theory. New Trends in Kramers' Reaction Rate Theory. The Netherlands: Kluwer Academic Publishers; 1993.
. A Feynman Path Integral Approach for Calculating Quantum Rate Constants in Complex Systems. Ber. Bunsenges. Phys. Chem. 1991 ;95:393-399.
. Semiclassical Dressed State Theory for the Vibrational Excitation of a Morse Oscillator by Radiation. The Journal of Physical Chemistry. 1985 ;89:2208-2213.
. Coarse-Graining of Condensed Phase and Biomolecular Systems. Boca Raton, FL: CRC Press/Taylor and Francis Group; 2009.
. Quasidissipative Intramolecular Dynamics: An Adiabatically Reduced Coupled Equations Approach. The Journal of Chemical Physics. 1987 ;87:5272-5279.
. The Computer Simulation of Proton Transport in Biomolecular Systems. Front Biosci. 2003 ;8:s1384-79.
. An Effective Barrier Model for Describing Quantum Mechanical Activated Rate Processes in Condensed Phases. The Journal of Chemical Physics. 1991 ;94:7342-7352.
. On the Use of Feynman–Hibbs Effective Potentials to Calculate Quantum Mechanical Free Energies of Activation. The Journal of Chemical Physics. 1991 ;94:4095-4096.
. Transition State Dynamics and Relaxation Processes in Solutions: A Frontier of Physical Chemistry. The Journal of Physical Chemistry. 1996 ;100:13034-13049.
. New and Notable: Key New Insights into Membrane Targeting by Proteins. Biophys. J. 2013 ;104:517-519.
. Approximate Coupled Equations for Multiphoton Processes Induced by One or More Lasers. Chem. Phys. Lett. 1986 ;129:315-320.
. Path Integral Centroid Methods in Quantum Statistical Mechanics and Dynamics. Adv. Chem. Phys. 1996 ;93:135-218.
. The Highly Excited C-H Stretching States of CHD3, CHT3, and CH3D. J. Chem. Phys. 1984 ;81:5494-5507.
. Calculation of Equilibrium Averages with Feynman-Hibbs Effective Classical Potentials and Similar Variational Approximations. Phys Rev A. 1991 ;44:5302-5305.
. Rigorous Formulation of Quantum Transition State Theory and its Dynamical Corrections. The Journal of Chemical Physics. 1989 ;91:7749-7760.
. A New Perspective on Quantum Mechanical Transition State Theory. In: Quantum Simulations of Condensed Matter Phenomena. Quantum Simulations of Condensed Matter Phenomena. Singapore: World Scientific; 1990. pp. 391-400.
. Feynman Path Integral Formulation of Quantum Mechanical Transition-state Theory. The Journal of Physical Chemistry. 1993 ;97:8365-8377.
. Adiabatically Reduced Coupled Equations for Intramolecular Dynamics Calculations. The Journal of Chemical Physics. 1986 ;84:2254-2261.
. Deciphering the Dynamic Codes: Advances in Biomolecular Modeling and Simulation. Curr. Opin. Struct. Biol. 2023 ;81:102642.
. Analytic Expression for the Transmission Coefficient in Quantum Mechanical Transition State Theory. Chem. Phys. Lett. 1990 ;170:289-296.
. Time Correlation Function and Path Integral Analysis of Quantum Rate Constants. The Journal of Physical Chemistry. 1989 ;93:7009-7015.
. Feynman Path Centroid Dynamics. In: Progress in Theoretical Chemistry and Physics. Vol. 5. Progress in Theoretical Chemistry and Physics. Dordrecht: Kluwer; 2000. pp. 47-68.
. Kinetic Monte Carlo-Molecular Dynamics Approach To Model Soot Inception. Combust. Sci. and Tech. 2004 ;176:991-1005.
. Superposition State Molecular Dynamics. J. Chem. Theory Comp. 2005 ;1:36-40.
. Autoinhibition of Endophilin in Solution via Inter-domain Interactions. Biophys. J. 2013 ;104:396-403.
. Temperature Dependence of the Solvent Reorganization Energy of Electron Transfer in Highly Polar Solvents. J. Phys. Chem. B. 1999 ;103:9130-9140.
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