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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Jan-2026B16Garcia Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimization MinimumDFTdef2-tzvp(-f); def2/J-691.96025713142512; Eh
thumbnail.jpeg28-Jan-2026B18Garcia Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimization MinimumDFTdef2-tzvp(-f); def2/J-675.52363324275336; Eh
thumbnail.jpeg28-Jan-2026B2Garcia Padilla, EduardoOrca; 6.1.x; STABLEGeometry optimization MinimumDFTdef2-tzvp(-f); def2/J-1001.02701409087751; Eh
thumbnail.jpeg12-Jun-2025/Microsolvation Furanylfentanyl_Nprot_H2O_4Ieritano, ChristianOrca; 6.0.1; RELEASEGeometry optimization; Geometry optimization Minimum; Single pointDFTdef2-TZVPP; def2/J-1496.02094074455954; -1496.04456676373138; -1487.70676894339977; Eh; Eh; Eh
thumbnail.jpeg12-Jun-2025/Microsolvation Furanylfentanyl_Nprot_H2O_5Ieritano, ChristianOrca; 6.0.1; RELEASEGeometry optimization; Geometry optimizationDFTdef2-TZVPP; def2/J-1572.45943983492180; -1572.48942237535516; Eh; Eh
thumbnail.jpeg28-Jan-2026SP_A24Garcia Padilla, EduardoOrca; 6.1.x; STABLESingle pointDFTdef2-tzvppd; def2/J-1215.87079901693505; Eh
thumbnail.jpeg28-Jan-2026SP_A4Garcia Padilla, EduardoOrca; 6.1.x; STABLESingle pointDFTdef2-tzvppd; def2/J-878.65449770334033; Eh
thumbnail.jpeg28-Jan-2026SP_A3Garcia Padilla, EduardoOrca; 6.1.x; STABLESingle pointDFTdef2-tzvppd; def2/J-878.65479614973265; Eh
thumbnail.jpeg28-Jan-2026SP_A5Garcia Padilla, EduardoOrca; 6.1.x; STABLESingle pointDFTdef2-tzvppd; def2/J-616.71084962892633; Eh
thumbnail.jpeg28-Jan-2026SP_A6Garcia Padilla, EduardoOrca; 6.1.x; STABLESingle pointDFTdef2-tzvppd; def2/J-656.04678155240993; Eh
Results 380851-380860 of 402241 (Search time: 0.215 seconds).