Daniela Josa

Analysis of the performance of DFT-D, M05-2X and M06-2X functionals for studying π⋯π interactions

Daniela Josa, Jesús Rodríguez‐Otero, Enrique M. Cabaleiro‐Lago et al. · Chemical Physics Letters · 2012 · 107 citations

Natural Sciences, Chemistry, Physics +14

A DFT study of substituent effects in corannulene dimers

Daniela Josa, Jesús Rodríguez‐Otero, Enrique M. Cabaleiro‐Lago · Physical Chemistry Chemical Physics · 2011 · 61 citations

Natural Sciences, Chemistry, Physics +17

Substituted Corannulenes and Sumanenes as Fullerene Receptors. A Dispersion-Corrected Density Functional Theory Study

Daniela Josa, Jesús Rodríguez‐Otero, Enrique M. Cabaleiro‐Lago et al. · The Journal of Physical Chemistry A · 2014 · 55 citations

Natural Sciences, Chemistry, Physics +12

Homology Modeling of Wild-type, D516V, and H526L<i>Mycobacterium Tuberculosis</i>RNA Polymerase and Their Molecular Docking Study with Inhibitors

Daniela Josa, Elaine F. F. da Cunha, Teodorico C. Ramalho et al. · Journal of Biomolecular Structure and Dynamics · 2008 · 49 citations

Pharmacy, Medicinal Chemistry, Molecular Biology +7

Ring-annelated corannulenes as fullerene receptors. A DFT-D study

Daniela Josa, Lucas de Azevedo Santos, Iván González-Veloso et al. · RSC Advances · 2014 · 33 citations

Natural Sciences, Chemistry, Physics +13