The accuracy challenge of the DFT-based molecular assignment of 13C MAS NMR characterization of surface intermediates in zeolite catalysis
Keyword(s):
Mas Nmr
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The influence of model and method choice on the DFT-computed NMR signatures of intrazeolite methoxide intermediates was investigated.
1999 ◽
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pp. 21-27
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2018 ◽
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2005 ◽
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