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

TitleAccurate Harmonic/Anharmonic Vibrational Frequencies for Open-Shell Systems: Performances of the B3LYP/N07D Model for Semirigid Free Radicals Benchmarked by CCSD (T) Computations
Publication TypeJournal Article
Year of Publication2010
AuthorsPuzzarini, C, Biczysko, M, Barone, V
JournalJournal of Chemical Theory and Computation
Volume6
Pagination828\{$\backslash$textendash\}838