most citedAb initio study of Li, Mg and Al insertion into rutile VO2: Fast diffusion and enhanced voltages

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physics.chem-ph2019

Revisiting Backbonding: The Influence of Orbitals on Metal-CO Bonds and Ligand Red Shifts

Daniel Koch, Yingqian Chen, Pavlo Golub +1

The concept of backbonding is widely used to explain the complex stabilities and CO stretch frequency red shifts of transition metal carbonyls. We theoretically investigate a n…