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List of works by Roberto Dovesi

First principles calculations of the vibrational properties of single and dimer F-type centers in corundum crystals

scientific article published on 01 October 2020

Interstitial defects in diamond: A quantum mechanical simulation of their EPR constants and vibrational spectra

scientific article published on 01 July 2020

Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties

scientific article published on 16 September 2019

Predicted strong spin-phonon interactions in Li-doped diamond

scientific article published on 01 September 2020

Strategies for the optimization of the structure of crystalline compounds

scientific article published on 10 November 2021

Substitutional carbon defects in silicon: A quantum mechanical characterization through the infrared and Raman spectra

scientific article published on 10 April 2020

The CRYSTAL code, 1976-2020 and beyond, a long story

scientific article published on 01 May 2020

The spectroscopic characterization of interstitial oxygen in bulk silicon: A quantum mechanical simulation

scientific article published on 01 February 2020

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