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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Aug-20211a_aq_NMRCastro, Abril C.ADF; 2017Single point NMR--
thumbnail.jpeg2-Aug-20212a_aq_NMRCastro, Abril C.ADF; 2017Single point NMR--
thumbnail.jpeg2-Aug-20211aCastro, Abril C.ADF; 2019Geometry optimizationPBETZ2P-7.77615257; Eh
thumbnail.jpeg2-Aug-20211a_CB7_NMRCastro, Abril C.ADF; 2017Single point NMR--
thumbnail.jpeg2-Aug-20212a_aq_CB7_NMRCastro, Abril C.ADF; 2017Single point NMR--
thumbnail.jpeg2-Aug-20212a_CB7_NMRCastro, Abril C.ADF; 2017Single point NMR--
thumbnail.jpeg2-Aug-20212a_CB7Castro, Abril C.ADF; 2019Geometry optimizationPBETZ2P-39.87651901; Eh
thumbnail.jpeg2-Aug-20212a_aqCastro, Abril C.ADF; Geometry optimizationPBETZ2P-8.01487933; Eh
thumbnail.jpeg2-Aug-20211a_NMRCastro, Abril C.ADF; 2017Single point NMR--
thumbnail.jpeg2-Aug-20211a_aqCastro, Abril C.ADF; 2019Geometry optimizationPBETZ2P-8.01945951; Eh
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