In this Festschrift dedicated to the 60th birthday of Gregory S. Ezra, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry and will especially benefit those research groups and libraries with limited access to the journal.

Selected contributions from the journal Theoretical Chemistry Accounts

The Semiclassical Propagator in Fermionic Fock Space.- A New Method to Improve Validity Range of Lie Canonical Perturbation Theory: With a Central Focus on a Concept of Non Blow-Up Region.-Signatures of classical bifurcations in the quantum scattering resonances of dissociating molecules.- Toward a Quantum Trajectory-Based Rate Theory.- A Semiclassical Adiabatic Calculation of State Densities for Molecules Exhibiting Torsion: Application to Hydrogen Peroxide and its Isotopomers.- Revisiting roaming trajectories in ketene isomerization at higher dimensionality.-Quantum Molecular Dynamics Simulations of Liquid Benzene using Orbital Optimization.- Effect of a Chiral Electrostatic Cavity on Product Selection in a Reaction with a Bifurcating Reaction Path.-Vibrational energy flow across heme-cytochrome c and cytochrome c-water interfaces.-Roaming dynamics in Ketene isomerization.- Topological phase transitions in the vibration-rotation dynamics of an isolated molecule.-Computer Simulation of Quantum Dynamics in a Classical Spin Environment.- Ions in Liquid Metal Clusters.-Semiclassical quantization of atomic systems through their normal form: the hydrogen atom.- Preface to the special collection in honor of Gregory Ezra.