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Accurate Harmonic/Anharmonic Vibrational Frequencies for Open-Shell Systems: Performances of the B3LYP/N07D Model for Semirigid Free Radicals Benchmarked by CCSD(T) Computations

✍ Scribed by Puzzarini, Cristina; Biczysko, Malgorzata; Barone, Vincenzo


Book ID
111644689
Publisher
American Chemical Society
Year
2010
Tongue
English
Weight
179 KB
Volume
6
Category
Article
ISSN
1549-9618

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