Results: 1
Martí Gimferrer, Jeroen Van der Mynsbrugge, AlexisT. Bell, Pedro Salvador, Martin Head-Gordon
Facing the Challenges of Borderline Oxidation State Assignments Using State-of-the-Art Computational Methods
Inorg. Chem., 2020, 59, 15410-15420
DOI: 10.1021/acs.inorgchem.0c02405Keywords: Chemical bonding, Computational chemistry, Density Functional Theory, Oxidation, Real-space analysis