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Efficient Procedure for the Numerical Calculation of Harmonic Vibrational Frequencies Based on Internal Coordinates
Miliordos, Evangelos, Xantheas, Sotiris S.Volume:
117
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp3127576
Date:
August, 2013
File:
PDF, 872 KB
english, 2013