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TITLE: Unveiling the potential of graphene and graphyne electrodes in lithium-ion batteries: A DFT modeling approach
AUTHORS: Dias, Raul E.; Magalhaes, Alexandre L.;
PUBLISHED: 2024, SOURCE: COMPUTATIONAL AND THEORETICAL CHEMISTRY, VOLUME: 1233
INDEXED IN: Scopus WOS CrossRef: 1
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TITLE: Revisiting the reaction pathways for phospholipid hydrolysis catalyzed by phospholipase A2 with QM/MM methods
AUTHORS: Pinto, Alexandre V.; Pedro Ferreira ; Cunha, Ana V.; Havenith, Remco W. A.; Magalhaes, Alexandre L.; Ramos, Maria J.; Fernandes, Pedro A.;
PUBLISHED: 2024, SOURCE: CHEMICAL SCIENCE, VOLUME: 15, ISSUE: 25
INDEXED IN: Scopus WOS CrossRef
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