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Semi-automated transition state localization for organometallic complexes with semi-empirical quantum chemical methods
Dohm, Sebastian, Bursch, Markus, Hansen, Andreas, Grimme, StefanLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b01266
Date:
February, 2020
File:
PDF, 3.21 MB
english, 2020