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	1.	Interstitial nitrogen atoms in diamond. A quantum mechanical investigation of its electronic and vibrational properties. [electronic resource] by Salustro, Simone Pascale, Fabien Mackrodt, William C Ravoux, Corentin Erba, Alessandro Dovesi, Roberto Producer: 20180620 In: Physical chemistry chemical physics : PCCP vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	The spectroscopic characterization of interstitial oxygen in bulk silicon: A quantum mechanical simulation. [electronic resource] by Gentile, Francesco Silvio Difalco, Alessandro Pascale, Fabien Salustro, Simone Mackrodt, William Dovesi, Roberto Publication details: The Journal of chemical physics Feb 2020 In: The Journal of chemical physics vol. 152 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Nitrogen substitutional defects in silicon. A quantum mechanical investigation of the structural, electronic and vibrational properties. [electronic resource] by Platonenko, Alexander Gentile, Francesco Silvio Pascale, Fabien Ferrari, Anna Maria D'Amore, Maddalena Dovesi, Roberto Producer: 20190926 In: Physical chemistry chemical physics : PCCP vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Vibration Frequencies of Mg3Al2Si3O12 Pyrope. An ab initio study with the CRYSTAL code. [electronic resource] by Pascale, Fabien Zicovich-Wilson, Claudio M Orlando, Roberto Roetti, Carla Ugliengo, Piero Dovesi, Roberto Producer: 20070928 In: The journal of physical chemistry. B vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	The vibrational spectrum of CaCO3 aragonite: a combined experimental and quantum-mechanical investigation. [electronic resource] by Carteret, Cédric De La Pierre, Marco Dossot, Manuel Pascale, Fabien Erba, Alessandro Dovesi, Roberto Producer: 20130605 In: The Journal of chemical physics vol. 138 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	On the Models for the Investigation of Charged Defects in Solids: The Case of the VN [electronic resource] by Dovesi, Roberto Gentile, Francesco Silvio Ferrari, Anna Maria Pascale, Fabien Salustro, Simone D'Arco, Philippe Publication details: The journal of physical chemistry. A Jun 2019 In: The journal of physical chemistry. A vol. 123 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Structure, vibrational analysis, and insights into host-guest interactions in as-synthesized pure silica ITQ-12 zeolite by periodic B3LYP calculations. [electronic resource] by Zicovich-Wilson, Claudio Marcelo San-Román, María Luisa Camblor, Miguel Angel Pascale, Fabien Durand-Niconoff, José Sergio Producer: 20071105 In: Journal of the American Chemical Society vol. 129 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)