MODERN METHODS FOR MULTIDIMENSIONAL DYNAMICS COMPUTATIONS IN CHEMISTRY

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.