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The Infrared spectrum of very large (periodic) systems: global versus fragment strategies—the case of three defects in diamond
Pascale, Fabien, Salustro, Simone, Ferrari, Anna Maria, Rérat, Michel, D’Arco, Philippe, Dovesi, RobertoVolume:
137
Language:
english
Journal:
Theoretical Chemistry Accounts
DOI:
10.1007/s00214-018-2380-3
Date:
December, 2018
File:
PDF, 1.08 MB
english, 2018