Using a recently reported double many-body expansion potential energy surface, quasi-classical, statistical mechanics, and quantum resonance calculations have been performed for the HN(2) system by focusing on the determination of bimolecular (N + NH and H + N(2)) and unimolecular (decomposition of HN(2)) rate constants as well as the relevant equilibrium constants.

We describe a general theory for surface-catalyzed bimolecular reactions in responsive nanoreactors, catalytically active nanoparticles coated by a stimuli-responsive "gating" shell, whose permeability controls the activity of the process. We address two archetypal scenarios encountered in this system: the first, where two species diffusing from a bulk solution react at the catalyst's surface, ...

This perspective discusses progress in the theory of bimolecular reaction dynamics in the gas phase. The examples selected show that definitive quantum dynamical computations are providing insights into the detailed mechanisms of chemical reactions.

Four-stranded DNAs including G-quadruplexes and i-motifs are formed from four stretches of identical bases (G or C). A challenge remains in controlling the intermolecular folding of different G-rich or C-rich strands due to the self-association of each component. Here, we introduce a well-designed bimolecular i-motif that does not allow the dimerization of the same strand, and illustrate its us...