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How reliable are DFT transition structures? Comparison of GGA, hybrid-meta-GGA and meta-GGA functionals

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Description scientific article published on October 25, 2010
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author: Jonathan M. Goodman  Luis Simón 

Publication date October 25, 2010
Language English
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http://pubs.rsc.org/en/content/articlepdf/2011/OB/C0OB00477D

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