Substitutional carbon defects in silicon: A quantum mechanical characterization through the infrared and Raman spectra. - Francesco S. Gentile; Alexander Platonenko; Khaled E. El-Kelany; Michel Rérat; Philippe D'Arco; Roberto Dovesi (J. Comput. Chem., 2020)

The Structural, Electronic and Vibrational Properties of LaCrO 3 $$ {}_3 $$ . A Quantum Mechanical Investigation by Using an All Electron Gaussian Type Basis Set and a Full Range Hybrid Functional. - Khaled E. El-Kelany; Alexander Platonenko; Klaus Doll; Roberto Dovesi (J. Comput. Chem., 2025)