Ab initio quantum chemistry on a ccNUMA architecture using openMP III. - Carlos P. Sosa; Giovanni Scalmani; Roberto Gomperts; Michael J. Frisch (Parallel Comput., 2000)

Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution. - Caterina Benzi; Roberto Improta; Giovanni Scalmani; Vincenzo Barone (J. Comput. Chem., 2002)

Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model. - Maurizio Cossi; Nadia Rega; Giovanni Scalmani; Vincenzo Barone (J. Comput. Chem., 2003)

Charge transfer excitations in TDDFT: A ghost-hunter index. - Marco Campetella; Federica Maschietto; Mike J. Frisch; Giovanni Scalmani; Ilaria Ciofini; Carlo Adamo (J. Comput. Chem., 2017)

How are the charge transfer descriptors affected by the quality of the underpinning electronic density? - Federica Maschietto; Marco Campetella; Michael J. Frisch; Giovanni Scalmani; Carlo Adamo; Ilaria Ciofini (J. Comput. Chem., 2018)

Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states. - Alistar Ottochian; Carmela Morgillo; Ilaria Ciofini; Michael J. Frisch; Giovanni Scalmani; Carlo Adamo (J. Comput. Chem., 2020)

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)