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Francesco S. Gentile

Francesco Silvio Gentile

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Journal Articles

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2023
[j5]
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  - journals/jcc/PascaleDGD23
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  - https://dblp.org/rec/journals/jcc/PascaleDGD23
Fabien Pascale, Klaus Doll, Francesco Silvio Gentile, Roberto Dovesi:
How deeply are core electrons perturbed when valence electrons are spin polarized? The case study of transition metal compounds. J. Comput. Chem. 44(2): 65-75 (2023)
2022
[j4]
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Fabien Pascale, Philippe D'Arco, Francesco Silvio Gentile, Roberto Dovesi:
Strategies for the optimization of the structure of crystalline compounds. J. Comput. Chem. 43(3): 184-196 (2022)
2021
[j3]
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Alexander Platonenko, Francesco Silvio Gentile, Fabien Pascale, Philippe D'Arco, Roberto Dovesi:
Interstitial carbon defects in silicon. A quantum mechanical characterization through the infrared and Raman spectra. J. Comput. Chem. 42(12): 806-817 (2021)
[j2]
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  - journals/symmetry/GentileDPCPPD21
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Francesco Silvio Gentile, Rosita Diana, Barbara Panunzi, Ugo Caruso, Alexander Platonenko, Fabien Pascale, Roberto Dovesi:
Vibrational Analysis of Paraelectric-Ferroelectric Transition of LiNbO3: An Ab-Initio Quantum Mechanical Treatment. Symmetry 13(9): 1650 (2021)
2020
[j1]
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Francesco S. Gentile, Alexander Platonenko, Khaled E. El-Kelany, Michel Rérat, Philippe D'Arco, Roberto Dovesi:
Substitutional carbon defects in silicon: A quantum mechanical characterization through the infrared and Raman spectra. J. Comput. Chem. 41(17): 1638-1644 (2020)

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