Computer Science
Scientist
Department of Chemistry, The Pennsylvania State University, University Park, PA 16802, USA
Ab Initio Calculation of 17O, 27Al and 29Si NMR Parameters in Hydrous Silica and Na-Aluminosilicate Glasses
Ab initio calculation of 1H, 17O, 27Al and 29Si NMR parameters, vibrational frequencies and bonding energetics in hydrous silica and Na-aluminosilicate glasses
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