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Issue DateTitleAuthor(s)TypeAccess
12022Isolation, Identification, Spectral Studies and X-ray Crystal Structures of Two Compounds from Bixa orellana, DFT Calculations and DNA Binding StudiesParveen, Mehtab; Azeem, Mohammad; Aslam, Afroz; Azam, Mohammad; Siddiqui, Sharmin; Tabish, Mohammad; Malla, Ali Mohammad; Min, Kim; Rodrigues, Vítor Hugo ; Al-Resayes, Saud I.; Alam, MahboobarticleopenAccess
215-Jan-2014Experimental and theoretical studies of the second- and third-order NLO properties of a semi-organic compound: 6-Aminoquinolinium iodide monohydrateSilva, Pedro S. Pereira ; Ouazzani, Hasnaa El ; Pranaitis, Mindaugas ; Silva, Manuela Ramos ; Arranja, Cláudia T. ; Sobral, Abílio J. F. N. ; Sahraoui, Bouchta ; Paixão, José A. articleopenAccess
322-Mar-2013Theoretical and experimental insights into the complexation of 8-hydroxyquinoline-5-sulfonate with divalent ions of Group 12 metalsRamos, M. Luísa ; Justino, Licínia L. G. ; Branco, Adriana ; Fonseca, Sofia M. ; Burrows, Hugh D. articleopenAccess
428-Jul-2020Fotoquímica de Tetrazolonas: Um Estudo TeóricoPrata, Amílcar DuquemasterThesisopenAccess
525-Feb-2022Reações de Michael Assimétricas - Estudos Sintéticos e ComputacionaisVigia, Bruno MauríciomasterThesisopenAccess
68-Sep-2023Photophysical Processes of Tetrazolones: A Theoretical Approach Based on DFT and TD-DFTSousa, Tânia Patrícia de AlmeidamasterThesisopenAccess
721-Sep-2023Ab Initio Study of 2D SuperconductorsProbst, Gil VilelamasterThesisopenAccess
89-Mar-2023Mechanisms of SiO oxidation: Implications for dust formationAndersson, Stefan; Gobrecht, David; Valero, RosendoarticleopenAccess