Browsing by Author "Giannozzi, Paolo"
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Publication Investigation of structural, lectronic and magnetic properties of breathing metal-organic framework MIL-47 (Mn): a first principles approach
;Hosseini, Mohammadrezza ;Vanpoucke, Danny ;Giannozzi, PaoloBerahman, MasoudJournal article2020, RSC Advances, (20) 8, p.4786-4794Publication Roadmap on methods and software for electronic structure based simulations in chemistry and materials
;Blum, Volker ;Asahi, Ryoji ;Autschbach, Jochen ;Bannwarth, ChristophBihlmayer, GustavJournal article2024, ELECTRONIC STRUCTURE, (6) 4, p.Art. 042501