Modern Methods for Multidimensional Dynamics Computations in Chemistry

Abstract

Computational for polyatomic bimolecular reactions, G.C. Schatz et al Nonadiabatic processes, J.C. Tully Methods for gas-surface scattering, B. Jackson Molecular dynamics methods for studying liquid interfacial phenomena, I. Benjamin Direct dynamics simulations - ab initio and semiempirical trajectories, K. Bolton et al Mapping multidimensional intramolecular dynamics using frequency analysis, J. von Milczewski, T. Uzer Quantum generalized Langevin equation approach to multi-dimensional dynamics, H.K. McDowell Quantum molecular dynamics simulations of processes in large clusters - methods and applications, R.B. Gerber et al Theoretical investigations of chemical and physical processes under matrix isolation conditions, L.M. Raff Macromolecular dynamics, R.V. Stanton et al Molecular dynamics simulations of carbohydrate solvation, J.W. Brady Computational simulation and modelling of molecular-based materials, B.G. Sumpter et al Molecular simulation of detonation, B.M. Rice Monte Carlo methods in chemistry - a tutorial, J.D. Doll, D.L. Freeman Monte Carlo methods for rate processes, A.J. Marks Tunnelling corrections in transition-state theory, D.G. Truhlar et al A multi-dimensional semiclassical approach for treating tunnelling within classical trajectory simulations, Y. Guo, D.L. Thompson.