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Francesco Silvio Gentile
Francesco Silvio Gentile
Postdoctoral Researcher in Theoretical Chemistry Università degli studi di Napoli Federico II
Verified email at unina.it
Title
Cited by
Cited by
Year
Experimental evidence of stable water nanostructures in extremely dilute solutions, at standard pressure and temperature
V Elia, G Ausanio, F Gentile, R Germano, E Napoli, M Niccoli
Homeopathy 103 (01), 44-50, 2014
932014
The CRYSTAL code, 1976–2020 and beyond, a long story
R Dovesi, F Pascale, B Civalleri, K Doll, NM Harrison, I Bush, P D’arco, ...
The Journal of chemical physics 152 (20), 204111, 2020
702020
Substitutional nitrogen in diamond: A quantum mechanical investigation of the electronic and spectroscopic properties
AM Ferrari, S Salustro, FS Gentile, WC Mackrodt, R Dovesi
Carbon 134, 354-365, 2018
462018
Experimental evidence of stable aggregates of water at room temperature and normal pressure after iterative contact with a Nafion® polymer membrane
V Elia, G Ausanio, A De Ninno, F Gentile, R Germano, E Napoli, M Niccoli
Water 5, 16-26, 2013
392013
Metal Defects in HKUST-1 MOF Revealed by Vibrational Spectroscopy: A Combined Quantum Mechanical and Experimental Study
GSPM Francesco Silvio Gentile, Marianna Pannico, Mauro Causa', Giuseppe ...
Journal of Materials Chemistry A, 2020
262020
Characterization of the B-center defect in diamond through the vibrational spectrum: A quantum-mechanical approach
S Salustro, AM Ferrari, FS Gentile, JK Desmarais, M Rérat, R Dovesi
The Journal of Physical Chemistry A 122 (2), 594-600, 2018
252018
The VN3H Defect in Diamond: A Quantum-Mechanical Characterization
PCRD Francesco Silvio Gentile, Simone Salustro, Mauro Causa', Alessandro Erba
Physical Chemistry Chemical Physics, 2017
242017
Electron localization function and maximum probability domains analysis of semi-ionic oxides crystals, surfaces and surface defects
M Causà, M D’Amore, F Gentile, M Menendez, M Calatayud
Computational and Theoretical Chemistry 1053, 315-321, 2015
222015
The bond analysis techniques (ELF and maximum probability domains) application to a family of models relevant to bio-inorganic chemistry
M Causa, M D’Amore, C Garzillo, F Gentile, A Savin
Applications of density functional theory to biological and bioinorganic …, 2013
202013
Strong Metal–Support Interactions of TiN– and TiO2–Nickel Nanocomposite Catalysts
SH Gage, C Ngo, V Molinari, M Causa, RM Richards, FS Gentile, ...
The Journal of Physical Chemistry C 122 (1), 339-348, 2018
192018
Hydrogen atoms in the diamond vacancy defect. A quantum mechanical vibrational analysis
RD S. Salustro, F.S. Gentile, P. D'Arco, B. Civalleri, M. Rérat
Carbon, 2017
17*2017
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 (11), 1-10, 2018
162018
The characterization of the VNxHy defects in diamond through the infrared vibrational spectrum. A quantum mechanical investigation
S Salustro, FS Gentile, A Erba, P Carbonniére, KE El-Kelany, R Dovesi
Carbon 132, 210-219, 2018
152018
Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties
A Platonenko, FS Gentile, F Pascale, AM Ferrari, M D’amore, R Dovesi
Physical Chemistry Chemical Physics 21 (37), 20939-20950, 2019
142019
Vibrational spectroscopy of hydrogens in diamond: a quantum mechanical treatment
FS Gentile, S Salustro, JK Desmarais, AM Ferrari, P D'Arco, R Dovesi
Physical Chemistry Chemical Physics 20 (17), 11930-11940, 2018
142018
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, 2019
122019
Hindered Brownian diffusion in a square-shaped geometry
M Gentile, De Santo, D'avino, Rossi, Romeo, Greco, Netti
Journal of colloid and interface Science, 2015
122015
Soot inception: A DFT study of σ and π dimerization of resonantly stabilized aromatic radicals
ADA Francesco Silvio Gentile, Francesca Picca, Gianluigi De Falco, Mario ...
Fuel, 2020
112020
Nitrogen interstitial defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties
A Platonenko, FS Gentile, J Maul, F Pascale, EA Kotomin, R Dovesi
Materials Today Communications 21, 100616, 2019
102019
Colorimetric recognition of multiple first-row transition metals: A single water-soluble chemosensor in acidic and basic conditions
R Diana, U Caruso, L Di Costanzo, FS Gentile, B Panunzi
Dyes and Pigments 184, 108832, 2021
92021
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Articles 1–20