Quantum mechanical tunneling is a consequence of the wave nature of particles that implies
that a particle can penetrate a potential energy barrier even though there is insufficient …

The Q 10 temperature coefficient, which is widely used in scientific literature, is a measure of
the temperature sensitivity of chemical reaction rates or biological processes. However, the …

Although experimental methods can be used to obtain the quantitative kinetics of
atmospheric reactions, experimental data are often limited to a narrow temperature range …

Kinetics provides the fundamental parameters for elucidating sources and sinks of key
atmospheric species and for atmospheric modeling more generally. Obtaining quantitative …

The chemistry that occurs in interstellar clouds consists of both gas-phase processes and
reactions on the surfaces of dust grains, the latter particularly on and in water-dominated ice …

In this work, we introduce TorsiFlex, a user-friendly software written in Python 3 and
designed to find all the torsional conformers of flexible acyclic molecules in an automatic …

Pilgrim is a program written in Python and designed to use direct dynamics in the calculation
of thermal rate constants of chemical reactions by the variational transition state theory …

The gas-phase reaction networks are the backbone of astrochemical models. However, due
to their complexity and nonlinear impact on the astrochemical modeling, they can be the first …

The reactivity of methanol (CH3OH) toward the hydroxyl (OH) radical was investigated in the
temperature range 11.7–177.5 K using the CRESU (French acronym for Reaction Kinetics in …

Hydrogen-atom transfer is crucial in a myriad of chemical and biological processes, yet the
accurate and efficient description of hydrogen-atom transfer reactions and kinetic isotope …