Non-statistical chemical dynamics are exemplified by disagreements with the transition state
(TS), RRKM and phase space theories of chemical kinetics and dynamics. The intrinsic …

We review the recent advances in the investigation of the dynamics of ion–molecule
reactions. During the past decade, the combination of single-collision experiments in …

Abstract Base-induced elimination (E2) and bimolecular nucleophilic substitution (SN2)
reactions are of significant importance in physical organic chemistry. The textbook example …

Chemical reaction dynamics are studied to monitor and understand the concerted motion of
several atoms while they rearrange from reactants to products. When the number of atoms …

The SN2 nucleophilic substitution reaction, X−+ RY→ XR+ Y−, is a paradigm reaction in
organic chemistry. The modern understanding of the SN2 reaction mechanism is based on …

In a direct dynamics simulation, the technologies of chemical dynamics and electronic
structure theory are coupled so that the potential energy, gradient, and Hessian required …

Stereo-specific reaction mechanisms play a fundamental role in chemistry. The back-side
attack inversion and front-side attack retention pathways of the bimolecular nucleophilic …

In addition to the nucleophile and solvent, the leaving group has a significant influence on
SN2 nucleophilic substitution reactions. Its role is frequently discussed with respect to …

Direct dynamics simulations become increasingly popular in studying reaction dynamics for
complex systems where analytical potential energy surfaces (PESs) are unavailable. Yet …

A range of ion–molecule reactions have been studied in the last years using the crossed-
beam ion imaging technique, from charge transfer and proton transfer to nucleophilic …