In this review we focus on the catalytic removal of a series of N-containing exhaust gases
with various valences, including nitriles (HCN, CH3CN, and C2H3CN), ammonia (NH3) …

Starting from the late seventies, the progressively increased availability of synchrotron light
sources allowed the execution of experiments requiring a high X-ray flux in a continuous …

We introduce density functional theory and review recent progress in its application to
transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and …

Enzymatic haem and non-haem high-valent iron–oxo species are known to activate strong C–
H bonds, yet duplicating this reactivity in a synthetic system remains a formidable challenge …

Advances in theory and algorithms for electronic structure calculations must be incorporated
into program packages to enable them to become routinely used by the broader chemical …

A combination of interpolation methods and local saddle-point search algorithms is probably
the most efficient way of finding transition states in chemical reactions. Interpolation methods …

Metal nanoparticles encapsulated in zeolite have been recently developed as a special type
of catalyst that shows significant advantages in activity, shape-selectivity, and stability over …

No laughing matter, nitrous oxide's role in stratospheric ozone depletion and as a
greenhouse gas has stimulated great interest in developing and understanding its …

Methane oxidation by N 2 O at 200° C and below was shown to proceed in a quasicatalytic
mode resulting in product accumulation on FeZSM-5 surface. Methanol that formed via …

The activities of different iron species in Fe-ZSM-5 for the selective catalytic reduction (SCR)
of NO by NH3 were determined in terms of their turnover frequencies (TOF values). The …