Browsing by Author Martins, Frederico

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Apr-2023/fia Fbcl3_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-1505.73519313; Eh
thumbnail.jpeg6-Apr-2023/fia Fbf3_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-424.62696969; Eh
thumbnail.jpeg6-Apr-2023/fia Fbh3_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-126.55358890; Eh
thumbnail.jpeg6-Apr-2023/fia Fbi3_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-1018.11757808; Eh
thumbnail.jpeg6-Apr-2023/fia Fboh3_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-352.65875472; Eh
thumbnail.jpeg6-Apr-2023/fia FbOTf3_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-3010.47872288; Eh
thumbnail.jpeg6-Apr-2023/fia Fbph3_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-820.00330587; Eh
thumbnail.jpeg6-Apr-2023/fia Fbsh3_-1_1Martins, FredericoOrca; 5.0.2; RELEASEGeometry optimizationDFTdef2-TZVP-1320.75040843; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bbr3Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-7748.25296179; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bc2f5Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-1751.89099299; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bc6f5Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-2209.25574449; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bch33Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-144.64773146; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bcl3Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-1405.75535233; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bf3Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-324.70469107; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bh3Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-26.60654548; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bi3Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-918.48479173; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bnc6f53Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-4557.96623327; Eh
thumbnail.jpeg6-Apr-2023/fia frq_boh3Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-252.61731477; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bOTf3Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-2910.40281523; Eh
thumbnail.jpeg6-Apr-2023/fia frq_bph3Martins, FredericoOrca; 5.0.2; RELEASESingle point MinimumDFTdef2-TZVP-720.06163616; Eh