D. Josa

A DFT study of substituent effects in corannulene dimers.

D. Josa, J. Rodríguez Otero, Enrique M Cabaleiro Lago, 2011, Physical chemistry chemical physics : PCCP.

A MP2 and DFT study of the aromatic character of polyphosphaphospholes. Is the pyramidality the only factor to take into consideration?

E. Cabaleiro-Lago, J. Rodríguez-Otero, D. Josa, 2011, Journal of molecular modeling.

Substituted corannulenes and sumanenes as fullerene receptors. A dispersion-corrected density functional theory study.

T. Ramalho, E. Cabaleiro-Lago, J. Rodríguez-Otero, 2014, The journal of physical chemistry. A.

Molecular modelling of Mycobacterium tuberculosis acetolactate synthase catalytic subunit and its molecular docking study with inhibitors

Daniela Josa, Teodorico C. Ramalho, E. F. D. da Cunha, 2008 .

Molecular Modeling of Mycobacterium Tuberculosis dUTpase: Docking and Catalytic Mechanism Studies

Teodorico C. Ramalho, E. F. D. da Cunha, D. Josa, 2011, Journal of biomolecular structure & dynamics.

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

E. Cabaleiro-Lago, J. Rodríguez-Otero, D. Josa, 2013 .

Fullerene recognition with molecular tweezers made up of efficient buckybowls: a dispersion-corrected DFT study.

E. Cabaleiro-Lago, J. Rodríguez-Otero, D. Josa, 2015, Physical chemistry chemical physics : PCCP.

A DFT study of substituent effects in corannulene dimers.

D. Josa, J. Rodríguez Otero, Enrique M Cabaleiro Lago, 2011, Physical chemistry chemical physics : PCCP.