CARBONNIERE, PHILIPPE

CARBONNIERE, PHILIPPE  

CHIMICA  

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Titolo Data di pubblicazione Autore(i) File
Anharmonic Vibrational States of Solids from DFT Calculations. Part I: Description of the Potential Energy Surface 2019 Erba A.; Maul J.; Ferrabone M.; Carbonniere P.; Rerat M.; Dovesi R.
Anharmonic Vibrational States of Solids from DFT Calculations. Part II: Implementation of the VSCF and VCI Methods 2019 Erba A.; Maul J.; Ferrabone M.; Dovesi R.; Rerat M.; Carbonniere P.
Calculation of Anharmonic IR and Raman Intensities for Periodic Systems from DFT Calculations: Implementation and Validation 2020 Carbonniere P.; Erba A.; Richter F.; Dovesi R.; Rerat M.
The characterization of the VNxHy defects in diamond through the infrared vibrational spectrum. A quantum mechanical investigation 2018 Salustro, Simone*; Gentile, Francesco Silvio; Erba, Alessandro; Carbonniére, Philippe; El-Kelany, Khaled E.; Dovesi, Roberto