The temperature dependence of the thermal rate constants and kinetic isotope effects (KIE)
of the CN+ C2H6 gas-phase hydrogen abstraction reaction was theoretically determined …

The H–+ C2H2→ H2+ C2H–reaction is important in understanding the production
mechanisms of anionic molecules in interstellar environments. Herein, the rate coefficients …

The dynamics and kinetics of the abstraction reactions of hydrogen atoms with methanol
have been studied using quasi-classical trajectory calculations and variational transition …

Intermolecular forces, determined by the critical balance of interacting components having
physical and chemical natures, control most of the static and dynamic properties of matter …

The reaction of chlorine atoms with methanol plays a central role in atmospheric and
combustion processes and is a prototype of multi-channel reaction with two paths, HCl (v, j)+ …

The rate constants of elementary processes in the atom–diatom system O (3 P)+ H 2 (v),
including the processes of vibrational relaxation and dissociation, were studied using the …

Homogeneous catalysis at transition metal centres is an essential and ubiquitous tool for the
regioselective direct synthesis of fine chemicals from abundant resources. Quantum …