Parametrization of a Force Field for Studying Some Beta Lactams. - Berta Fernández; Miguel A. Ríos (J. Comput. Chem., 1994)

New basis sets for the evaluation of interaction-induced electric properties in hydrogen-bonded complexes. - Angelika Baranowska-Laczkowska; Berta Fernández; Robert Zalesny (J. Comput. Chem., 2013)

A high-accuracy theoretical study of the CHnP Systems n = 1-3. - Ringo Rey-Villaverde; Hubert Cybulski; Jesús R. Flores; Berta Fernández (J. Comput. Chem., 2013)

Basis sets for the evaluation of van der Waals complex interaction energies: Ne-N2 intermolecular potential and microwave spectrum. - Angelika Baranowska-Laczkowska; Berta Fernández (J. Comput. Chem., 2014)

Dissecting the concave-convex π-π interaction in corannulene and sumanene dimers: SAPT(DFT) analysis and performance of DFT dispersion-corrected methods. - Enrique M. Cabaleiro-Lago; Berta Fernández; Jesús Rodríguez-Otero (J. Comput. Chem., 2018)

The Role of Substituents in Optical Rotation of Oxiranes, Oxetanes, and Oxathietanes. - Angelika Baranowska-Laczkowska; Krzysztof Z. Laczkowski; Berta Fernández (J. Chem. Inf. Model., 2019)