Comment on "Density functional theory study of 1, 2-dioxetanone decomposition in condensed phase". - Daniel Roca-Sanjuán; Marcus Lundberg; David A. Mazziotti; Roland Lindh (J. Comput. Chem., 2012)

Can the Hexagonal Ice-like Model Render the Spectroscopic Fingerprints of Structured Water? Feedback from Quantum-Chemical Computations. - Javier Segarra-Martí; Daniel Roca-Sanjuán; Manuela Merchán (Entropy, 2014)

A two-scale approach to electron correlation in multiconfigurational perturbation theory. - Pooria Farahani; Daniel Roca-Sanjuán; Francesco Aquilante (J. Comput. Chem., 2014)

A surface hopping algorithm for nonadiabatic minimum energy path calculations. - Igor Schapiro; Daniel Roca-Sanjuán; Roland Lindh; Massimo Olivucci (J. Comput. Chem., 2015)

The Information Recovery Problem. - Valentina Baccetti; Viqar Husain; Daniel Roca-Sanjuán (Entropy, 2017)