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Global optimization of extraframework ensembles in zeolites: structural analysis of extraframework aluminum species in MOR and MFI zeolites.
Phys Chem Chem Phys. 2022 Nov 18;24(44):27047-27054. doi: 10.1039/d2cp03603g.
Phys Chem Chem Phys. 2022.
PMID: 36321744
Free PMC article.
Unraveling the Nature of Extraframework Catalytic Ensembles in Zeolites: Flexibility and Dynamics of the Copper-Oxo Trimers in Mordenite.
Khramenkova EV, Medvedev MG, Li G, Pidko EA.
Khramenkova EV, et al.
J Phys Chem Lett. 2021 Nov 11;12(44):10906-10913. doi: 10.1021/acs.jpclett.1c03288. Epub 2021 Nov 3.
J Phys Chem Lett. 2021.
PMID: 34731568
Free PMC article.
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Degradation paths of manganese-based MOF materials in a model oxidative environment: a computational study.
Khramenkova EV , Polynski MV , Vinogradov AV , Pidko EA .
Khramenkova EV , et al.
Phys Chem Chem Phys. 2018 Aug 15;20(32):20785-20795. doi: 10.1039/c8cp00397a.
Phys Chem Chem Phys. 2018.
PMID: 29911242
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Response to Comment "On the Existence of Excitonic Signatures in the Optical Response of Metal-Organic Frameworks".
Milichko VA, Khramenkova EV, Dzyuba VP, Pidko EA.
Milichko VA, et al. Among authors: khramenkova ev.
Adv Mater. 2017 Dec;29(47). doi: 10.1002/adma.201705261.
Adv Mater. 2017.
PMID: 29239521
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