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Troubles in the Systematic Prediction of Transition Metal Thermochemistry with Contemporary Out-of-the-Box Methods
Minenkov, Yury, Chermak, Edrisse, Cavallo, LuigiLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.5b01163
Date:
April, 2016
File:
PDF, 1.00 MB
english, 2016