| Metal defects in HKUST-1 MOF revealed by vibrational spectroscopy: A combined quantum mechanical and experimental study FS Gentile, M Pannico, M Causa, G Mensitieri, G Di Palma, G Scherillo, ... Journal of materials chemistry A 8 (21), 10796-10812, 2020 | 50 | 2020 |
| The VN2 negatively charged defect in diamond. A quantum mechanical investigation of the EPR response G Di Palma, B Kirtman, FS Gentile, A Platonenko, AM Ferrari, R Dovesi Carbon 159, 443-450, 2020 | 21 | 2020 |
| Hydrogen, boron and nitrogen atoms in diamond: a quantum mechanical vibrational analysis FS Gentile, S Salustro, G Di Palma, M Causà, P D’arco, R Dovesi Theoretical Chemistry Accounts 137, 1-10, 2018 | 18 | 2018 |
| N 2 positively charged defects in diamond. A quantum mechanical investigation of the structural, electronic, EPR and vibrational properties G Di Palma, FS Gentile, V Lacivita, WC Mackrodt, M Causà, R Dovesi Journal of Materials Chemistry C 8 (15), 5239-5247, 2020 | 10 | 2020 |
Francesco Silvio GentilePostdoctoral Researcher in Theoretical Chemistry Università degli studi di Napoli Federico IIVerified email at unina.it
