Optimizing the Energetics of FLP-Type H 2 Activation by Modulating the Electronic and Structural Properties of the Lewis Acids: A DFT Study

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2020-08, Vol.124 (32), p.6399-6410
Main Authors: Heshmat, Mojgan, Ensing, Bernd
Format: Article
Language:English
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ISSN:1089-5639
1520-5215
DOI:10.1021/acs.jpca.0c03108