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Using reduced density matrix techniques to capture static and dynamic correlation in the energy landscape for the decomposition of the CH 2 CH 2 ONO radical and support a non-IRC pathway
Smart, Scott E., Scrape, Preston G., Butler, Laurie J., Mazziotti, David A.Volume:
149
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5024512
Date:
July, 2018
File:
PDF, 1.08 MB
english, 2018