Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes. - Eliseo Ruiz; Joan Cano; Santiago Alvarez; Pere Alemany (J. Comput. Chem., 1999)

About the calculation of exchange coupling constants in polynuclear transition metal complexes. - Eliseo Ruiz; Antonio Rodríguez-Fortea; Joan Cano; Santiago Alvarez; Pere Alemany (J. Comput. Chem., 2003)

Roles of cations, electronegativity difference, and anionic interlayer interactions in the metallic versus nonmetallic character of Zintl phases related to arsenic. - Pere Alemany; Miquel Llunell; Enric Canadell (J. Comput. Chem., 2008)

Symmetry operation measures. - Mark Pinsky 002; David Casanova; Pere Alemany; Santiago Alvarez; David Avnir; Chaim Dryzun; Ziv Kizner; Alexander Sterkin (J. Comput. Chem., 2008)

Analytical methods for calculating Continuous Symmetry Measures and the Chirality Measure. - Mark Pinsky 002; Chaim Dryzun; David Casanova; Pere Alemany; David Avnir (J. Comput. Chem., 2008)

Symmetry measures of the electron density. - David Casanova; Pere Alemany; Santiago Alvarez (J. Comput. Chem., 2010)

Pseudosymmetry analysis of molecular orbitals. - David Casanova; Pere Alemany; Andrés Falceto; Abel Carreras; Santiago Alvarez (J. Comput. Chem., 2013)