DLPNO-CCSD(T) scaled methods for the accurate treatment of large supramolecular complexes. - Joaquín Calbo; Juan Carlos Sancho-García; Enrique Ortí; Juan Aragó (J. Comput. Chem., 2017)

Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals. - Juan Carlos Sancho-García; Ángel J. Pérez-Jiménez; Marika Savarese; Éric Brémond; Carlo Adamo (J. Comput. Chem., 2017)

Emerging DFT Methods and Their Importance for Challenging Molecular Systems with Orbital Degeneracy. - Emilio San-Fabián Maroto; Juan Carlos Sancho-García (Comput., 2019)

Cover Image. - Éric Brémond; Alistar Ottochian; Ángel J. Pérez-Jiménez; Ilaria Ciofini; Giovanni Scalmani; Michael J. Frisch; Juan Carlos Sancho-García; Carlo Adamo (J. Comput. Chem., 2021)

Assessing challenging intra- and inter-molecular charge-transfer excitations energies with double-hybrid density functionals. - Éric Brémond; Alistar Ottochian; Ángel J. Pérez-Jiménez; Ilaria Ciofini; Giovanni Scalmani; Michael J. Frisch; Juan Carlos Sancho-García; Carlo Adamo (J. Comput. Chem., 2021)

Organic Emitters Showing Excited-States Energy Inversion: An Assessment of MC-PDFT and Correlation Energy Functionals Beyond TD-DFT. - Juan Carlos Sancho-García; Emilio San-Fabián (Comput., 2022)

Application to nonlinear optical properties of the RSX-QIDH double-hybrid range-separated functional. - M. Rodríguez-Mayorga; P. Besalú-Sala; Ángel J. Pérez-Jiménez; Juan Carlos Sancho-García (J. Comput. Chem., 2024)