Atoms in Generalized Orbital Configurations: Towards Atom-Dedicated Density Functionals

por Toader, Ana Maria, Buta, Maria Cristina, Maftei, Dan, Putz, Mihai V., Cimpoesu, Fanica
Publicado 2019

The Density Functional Theory Account of Interplaying Long-Range Exchange and Dispersion Effects in Supramolecular Assemblies of Aromatic Hydrocarbons with Spin

por Toader, Ana Maria, Buta, Maria Cristina, Mischie, Alice, Putz, Mihai V., Cimpoesu, Fanica
Publicado 2021

Molecular and Supramolecular Interactions in Systems with Nitroxide-Based Radicals

por Buta, Maria Cristina, Toader, Ana Maria, Frecus, Bogdan, Oprea, Corneliu I., Cimpoesu, Fanica, Ionita, Gabriela
Publicado 2019