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 metal–ligand cooperation (MLC) by transition metal bifunctional catalysts has
emerged at the forefront of homogeneous catalysis science. Specially designed ligands can …

One of the most promising suggested applications of quantum computing is solving
classically intractable chemistry problems. This may help to answer unresolved questions …

This review provides insight into the current research trend in transition metal oxides (TMOs)-
based photocatalysis in removing the organic colouring matters from water. For easy …

Csp3–C cross-coupling by activating Csp3–H bonds is a dream reaction for the chemical
community, and visible light-induced transition metal-catalysis under mild reaction …

Transition-metal-catalyzed C–H bond functionalizations have had an enormous influence on
organic synthesis in recent times. However, the use of low-abundance 4d and 5d metals is …

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Due to the principle lack of systematic improvement possibilities of density functional theory,
careful assessment of the performance of density functional approximations (DFAs) on well …

Density functional theory (DFT) is the most widely-used electronic structure approximation
across chemistry, physics, and materials science. Every year, thousands of papers report …

Silica-based ceramics have been explored extensively as a class of versatile materials for
various applications in architecture, catalysis, energy, machinery, and biomedical …