Modern computational methods have become so powerful for predicting the outcome for the H + H2 → H2 + H bimolecular exchange reaction that it might seem further experiments are not needed. Nevertheless, experiments have led the way to cause theorists to look more deeply into this simplest of all chemical reactions. The findings are less simple.

Extrapolation procedures are shown to be useful for obtaining kinetic parameters from irreversible enzymic reactions in which there are two intermediates, under both single-turnover and steady-state conditions. Small excesses of one component are treated as if they were large excesses, which is convenient in practice. The method has also been applied to a non-enzymic reversible bimolecular reac...

TiO2 photocatalysis can be performed for the addition of pyridines to vinylarenes in an anti-Markovnikov manner. Seven examples with considerable yields (56-91%) and selectivity were demonstrated. A comparative survey of the involved process through ESR revealed a novel concerted two electron transfer pathway for these photocatalytic bimolecular addition reactions.

Much attention has been paid to the dynamics of both activated gas-phase bimolecular reactions, which feature monotonically increasing integral cross sections and Arrhenius kinetics, their barrierless capture counterparts, manifest decreasing negative temperature dependence rate coefficients. In this Perspective, we focus on reactions with submerged barriers, often involve radicals or ions are ...

In this article, we consider cross-validation of the quantitative structure-property relationship models for reactions and show that conventional k-fold (CV) procedure gives an ‘optimistically’ biased assessment prediction performance. To address issue, suggest two strategies model cross-validation, ‘transformation-out’ CV, ‘solvent-out’ CV. Unlike approach does not nature objects, proposed pro...

Arginine kinase belongs to the family of enzymes, including creatine kinase, that catalyze the buffering of ATP in cells with fluctuating energy requirements and that has been a paradigm for classical enzymological studies. The 1.86-A resolution structure of its transition-state analog complex, reported here, reveals its active site and offers direct evidence for the importance of precise subst...

The room-temperature reactions of nitric oxide with 46 atomic cations have been surveyed systematically across and down the periodic table using an inductively-coupled plasma/selected-ion flow tube (ICP/SIFT) tandem mass spectrometer. Rate coefficients and product distributions were measured for the reactions of first-row cations from K+ to Se+, of second-row cations from Rb+ to Te+ (excluding ...