This article reviews the fundamentals of variational transition state theory (VTST), its recent
theoretical development, and some modern applications. The theoretical methods reviewed …

As the main constituent of natural gas, alkanes are arguably Nature's most plentiful organic
base chemicals that are easily accessible. Chemists have long coveted the use of alkanes …

When a chemical reaction forms two molecular products, even if the state-resolved
differential cross section (DCS) for each product is obtained individually, the coincident …

The present overview of alkane functionalization reactions presents comparisons between
radical and metal‐initiated (sometimes metal‐catalyzed) methodologies. While metal …

Chlorine atoms react with a variety of organic molecules by abstraction of an H atom, making
HCl and a radical co-product, and investigations of these reactions provide a large and …

The title reaction was investigated in a crossed-beam experiment. A (2+ 1) resonance-
enhanced multiphon ionization technique was used to interrogate the internal-state …

A new potential energy surface for the gas-phase F (2P)+ CH4 reaction and its deuterated
analogues is reported, and its kinetics and dynamics are studied exhaustively. This …

Potential surfaces, dipole moments, and polarizabilities are calculated by ab initio methods
[unrestricted MP 2 (full)/6-311++ G (2d, 2p)] along the reaction paths of the F+ CH 4 and Cl+ …

The signature of dynamics resonances was observed in the benchmark polyatomic F+
CH4/CHD3 reactions more than a decade ago; however, the dynamical origin of the …

The vast majority of chemical reactions involve polyatomic species as reactants and/or
products. The added degree of complexity offers opportunities to address dynamical …