Over the past few decades, development of electrocatalysts for energy applications has
extensively transitioned from trial-and-error methodologies to more rational and directed …

Transition-metal complexes are attractive targets for the design of catalysts and functional
materials. The behavior of the metal–organic bond, while very tunable for achieving target …

The use of 3d metals in de/hydrogenation catalysis has emerged as a competitive field with
respect to “traditional” precious metal catalyzed transformations. The introduction of …

Abstract α-Amino acids are essential for life as building blocks of proteins and components
of diverse natural molecules. In both industry and academia, the incorporation of unnatural …

" One impressive and compressive book.... This review would have to be book size to do full
justice to all the insights in this volume."—Journal of Metals Online Fully updated and …

Understanding the mechanisms of chemical reactions, especially catalysis, has been an
important and active area of computational organic chemistry, and close collaborations …

Relativistic effects can strongly influence the chemical and physical properties of heavy
elements and their compounds. This influence has been noted in inorganic chemistry …

Four seemingly simple transformations related to the chemistry of methane will be
addressed from mechanistic and conceptual points of view: 1) metal‐mediated …

The hybrid meta density functionals M05-2X and M06-2X have been shown to provide broad
accuracy for main group chemistry. In the present article we make the functional form more …

Formation of stable iron hydrides on more nucleophilic (electron-rich) metal centers than
those found in hydrogenases with CO ligands would inhibit or at least slow down function …