Are most of the stationary points in a molecular association minima? Application of Fraga's potential to benzene-benzene. - Mercedes Rubio; Francisco Torrens; José Sánchez-Marín (J. Comput. Chem., 1993)

New dimension indices for the characterization of the solvent-accessible surface. - Francisco Torrens; José Sánchez-Marín; Ignacio Nebot-Gil (J. Comput. Chem., 2001)

Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient way. - José-Vicente Pitarch Ruiz; José Sánchez-Marín; Daniel Maynau (J. Comput. Chem., 2002)

Vertical spectrum of the C2H2+ system. An open shell (SC)2-CAS-SDCI study. - José-Vicente Pitarch Ruiz; José Sánchez-Marín; Daniel Maynau (J. Comput. Chem., 2003)

Multistate active spaces from local CAS-SCF molecular orbitals: The photodissociation of HFCO as an example. - J. M. Junquera-Hernández; José-Vicente Pitarch Ruiz; José Sánchez-Marín; Stefano Evangelisti; Daniel Maynau (J. Comput. Chem., 2005)

Full configuration interaction calculation of the low lying valence and Rydberg states of BeH. - José-Vicente Pitarch Ruiz; José Sánchez-Marín; A. M. Velasco 002 (J. Comput. Chem., 2007)

FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library. - Stefano Borini; Antonio Monari; Elda Rossi; Attila Tajti; Celestino Angeli; Gian Luigi Bendazzoli; Renzo Cimiraglia; Andrew P. J. Emerson; Stefano Evangelisti; Daniel Maynau; José Sánchez-Marín; Péter G. Szalay (J. Chem. Inf. Model., 2007)

Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model. - Elda Rossi; Stefano Evangelisti; Antonio Laganà; Antonio Monari; Sergio Rampino; Marco Verdicchio; Kim K. Baldridge; Gian Luigi Bendazzoli; Stefano Borini; Renzo Cimiraglia; Celestino Angeli; Peter Kallay; et al. (J. Comput. Chem., 2014)

Nitrogen Gas on Graphene: Pairwise Interaction Potentials. - Jelle Vekeman; Noelia Faginas Lago; Inmaculada García Cuesta; José Sánchez-Marín; Alfredo M. J. Sánchez De Merás (ICCSA (5), 2018)