Theoretical Methods in Condensed Phase Chemistry

Preface. 1. Classical and quantum rate theory for condensed phases; E. Pollak. 2. Feynman path centroid dynamics; G.A. Voth. 3. Proton transfer in condensed phases: beyond the quantum Kramers paradigm; D. Antoniou, S.D. Schwartz. 4. Nonstationary stochastic dynamics and applications to chemical physics; R. Hernandez, F.L. Somer Jr. 5. Orbital-free kinetic-energy density functional theory; Y.A. Wang, E.A. Carter. 6. Semiclassical surface hopping methods for nonadiabatic transitions in condensed phases; M.F. Herman. 7. Mechanistic studies of solvation dynamics in liquids; B.M. Ladanyi. 8. Theoretical chemistry of heterogeneous reactions of atmospheric importance: the HCl+ ClONO2 reaction on ice; R. Bianco, J.T. Hynes. 9. Simulation of chemical reactions in solution using an ab initio molecular orbital-valence bond model; Jiali Gao, Yirong Mo. 10. Methods for finding saddle points and minimum energy paths; G. Henkelman, et al. Appendix: The two-dimensional test problem. Index.