Small Atomic Orbital Basis Set First‐Principles Quantum Chemical Methods for Large Molecular and Periodic Systems: A Critical Analysis of Error Sources

por Sure, Rebecca, Brandenburg, Jan Gerit, Grimme, Stefan
Publicado 2015

Computational study of the rate constants and free energies of intramolecular radical addition to substituted anilines

por Gansäuer, Andreas, Seddiqzai, Meriam, Dahmen, Tobias, Sure, Rebecca, Grimme, Stefan
Publicado 2013