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Improving harmonic vibrational frequencies calculations in density functional theory
Stratmann, R. Eric, Burant, John C., Scuseria, Gustavo E., Frisch, Michael J.Volume:
106
Year:
1997
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.474047
File:
PDF, 407 KB
english, 1997