A DFT study on Cu(I) coordination in Cu-ZSM-5: Effects of the functional choice and tuning of the ONIOM approach
Author:
Affiliation:
1. Dipartimento di Chimica, Università degli Studi di Roma “La Sapienza,”; P.le Aldo Moro 5 00185 Roma Italia
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
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