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Semi-Experimental Equilibrium Structure Determinations by Employing B3LYP/SNSD Anharmonic Force Fields: Validation and Application to Semirigid Organic Molecules
Piccardo, Matteo, Penocchio, Emanuele, Puzzarini, Cristina, Biczysko, Malgorzata, Barone, VincenzoVolume:
119
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp511432m
Date:
March, 2015
File:
PDF, 1.36 MB
english, 2015