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Accurate reaction barrier heights of pericyclic reactions: Surprisingly large deviations for the CBS-QB3 composite method and their consequences in DFT benchmark studies
Karton, Amir, Goerigk, LarsVolume:
36
Langue:
english
Journal:
Journal of Computational Chemistry
DOI:
10.1002/jcc.23837
Date:
April, 2015
Fichier:
PDF, 398 KB
english, 2015