Oriented Molecular Beams and Chemical Reactions

Molecular Dynamics of Chemical Reactions

Molecular beam and spectroscopic techniques allow detailed study of many dynamical properties of single reactive collisions. The chemical scope of these methods is now very wide and includes certain unimolecular and termolecular reactions as well as bimolecular reactions and energy transfer processes. Results for more than 50 families of A + BC — AB + C atom transfer reactions reveal simple imp...

H abstraction dynamics in crossed molecular beams : Cl + ROH reactions

ion reactions of hydrogen atoms from hydrocarbons are of great importance in combustion and atmospheric chemistry. This is reÑected in numerous publications where the kinetics of these processes have been probed in detail. While rate information provides some insight into the mechanisms of these reactions, it is the dynamics that provides a deeper understanding. For example, free radical abstra...

The Invariance of Molecular Topology in Chemical Reactions

There are two different pictures of molecular structure: the classical and the quantummechanical. The classical picture is naive-empirical and is the chemical one; it is connected with classical structural formulae, ball-and-stick models, the phenomenological Lewis concept and the Gillespy rules for prediction of molecular geometry. This picture now endures as the heuristic instrument for the p...

Molecular Dynamics Simulations of Chemical Reactions for Use in Education

The computational power of computers available to students has increased to the point that it is now feasible to build interactive molecular simulations that can be used in education. In this paper, the simulation engine of an open source program called the Molecular Workbench (1), which can simulate thermodynamics of chemical reactions, is described. While calculating the time evolution of the...

Chemical reactions.