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An ab initio density functional theory calculations on the K2YF5 crystal containing hydroxyl impurities
Gallegos-Cuellar, A.A., Licona-Ibarra, R., Rivas-Silva, J.F., Flores-Riveros, A., Azorín Nieto, J., Casco-Vásquez, J.F.Volume:
1051
Language:
english
Journal:
Journal of Molecular Structure
DOI:
10.1016/j.molstruc.2013.07.059
Date:
November, 2013
File:
PDF, 702 KB
english, 2013