Francesco S. Gentile

According to our database, Francesco S. Gentile authored at least 5 papers between 2020 and 2023.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2023

How deeply are core electrons perturbed when valence electrons are spin polarized? The case study of transition metal compounds.

Fabien Pascale, Klaus Doll, Francesco Silvio Gentile, Roberto Dovesi

J. Comput. Chem., January, 2023

2022

Strategies for the optimization of the structure of crystalline compounds.

Fabien Pascale, Philippe D'Arco, Francesco Silvio Gentile, Roberto Dovesi

J. Comput. Chem., 2022

2021

Vibrational Analysis of Paraelectric-Ferroelectric Transition of LiNbO3: An Ab-Initio Quantum Mechanical Treatment.

Francesco Silvio Gentile, Rosita Diana, Barbara Panunzi, Ugo Caruso, Alexander Platonenko, Fabien Pascale, Roberto Dovesi

Symmetry, 2021

Interstitial carbon defects in silicon. A quantum mechanical characterization through the infrared and Raman spectra.

Alexander Platonenko, Francesco Silvio Gentile, Fabien Pascale, Philippe D'Arco, Roberto Dovesi

J. Comput. Chem., 2021

2020

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