Article ; Online: Reactivity and Selectivity of the Diels-Alder Reaction of Anthracene in [Pd
2023 Volume 62, Issue 10, Page(s) 4330–4340
Abstract: The field of supramolecular metal-organic cage catalysis has grown rapidly in recent years. However, theoretical studies regarding the reaction mechanism and reactivity and selectivity controlling factors for supramolecular catalysis are still ... ...
Abstract | The field of supramolecular metal-organic cage catalysis has grown rapidly in recent years. However, theoretical studies regarding the reaction mechanism and reactivity and selectivity controlling factors for supramolecular catalysis are still underdeveloped. Herein, we demonstrate a detailed density functional theory study on the mechanism, catalytic efficiency, and regioselectivity of the Diels-Alder reaction in bulk solution and within two [Pd |
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Language | English |
Publishing date | 2023-03-02 |
Publishing country | United States |
Document type | Journal Article |
ZDB-ID | 1484438-2 |
ISSN | 1520-510X ; 0020-1669 |
ISSN (online) | 1520-510X |
ISSN | 0020-1669 |
DOI | 10.1021/acs.inorgchem.3c00005 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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