Items for "Atomic charge"

Spatial chemistry of the aluminium—platinum compounds: a quantum chemical approach

It was shown by quantum chemical calculations (TB-LMTO-ASA) for the compounds of the system aluminium—platinum that the Bader’s atomic volumes and charges of platinum and aluminium atoms change with the concentration...

Keywords: Vegard’s rule, Electron density, Bader’s atom, Atomic charge, Atomic volume