Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transThe Journal of Chemical Physics 2018 DOI: 10.1063/1.5019641 The computationally assisted, accelerated design of inorganic functional...
How are the charge transfer descriptors affected by the quality of the underpinning electronic densiJournal of Computational Chemistry 2018 DOI: 10.1002/jcc.25144 pdf With the aim of investigating qualitatively and quantitatively the...