We review the tremendous advances in ultrafast X-ray science, over the past 15 years,
making the best use of new ultrashort X-ray sources including table-top or large-scale …

Many chemical reactions involve one or more changes in the total electronic spin of the
reacting system as part of one or more elementary steps. Computational and theoretical …

Transition-metal complexes have long attracted interest for fundamental chemical reactivity
studies and possible use in solar energy conversion,. Electronic excitation, ligand loss from …

C–H bond activation/functionalization promoted by low-valent iron complexes has recently
emerged as a promising approach for the utilization of earth-abundant first-row transition …

Computational homogeneous catalysis has focused traditionally on the calculation of free
energy barriers, which are ultimately related to rate constants. Experiments do not focus on …

A growing and useful class of alkene coupling reactions involve hydrogen atom transfer
(HAT) from a metal-hydride species to an alkene to form a free radical, which is responsible …

A low-coordinate, high spin (S= 3/2) organometallic iron (I) complex is a catalyst for the
isomerization of alkenes. A combination of experimental and computational mechanistic …

The prevalence of hydrogen atom transfer (HAT) reactions in chemical and biological
systems has prompted much interest in establishing and understanding the underlying …

Conspectus Electronic excited-state phenomena provide a compelling intersection of
fundamental and applied research interests in the chemical sciences. This holds true for …

A complete mechanistic picture for the photochemical release of bipyridine (bpy) from the
archetypal complex [Ru (bpy) 3] 2+ is presented for the first time following the description of …