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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Sep-2019Ce(O)(OH)(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimization MinimumRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-9728.70595124; Eh
thumbnail.jpeg10-Sep-2019CeO2(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimization MinimumRI-MP2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-9728.07894039; Eh
thumbnail.jpeg18-Sep-2019/Profile_2 step_IBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZP; DZP; SZ-31.99231928; Eh
thumbnail.jpeg18-Sep-2019Uoxo_complexBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZP; DZP; SZ-31.15074571; Eh
thumbnail.jpeg18-Sep-2019UO2_complexBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZP; DZP; SZ-28.35056548; Eh
thumbnail.jpeg18-Sep-2019PhNCOBandeira, NunoADF; 2017Geometry optimization MinimumDFTDZP; SZ-3.61343158; Eh
thumbnail.jpeg18-Sep-2019CO2Bandeira, NunoADF; 2017Geometry optimization MinimumDFTDZP-0.82216804; Eh
thumbnail.jpeg10-Sep-2019PrO(OH)(NO3)2Bandeira, NunoOrca; 4.0.1; RELEASEGeometry optimization MinimumRI-MP2; mp2AutoAux; SARC-ZORA-TZVPP; ZORA-def2-TZVP-10118.19440176; Eh
thumbnail.jpeg18-Sep-2019/Profile_2 step_HBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZP; DZP; SZ-31.93808950; Eh
thumbnail.jpeg18-Sep-2019/Profile_2 step_GBandeira, NunoADF; 2017Geometry optimization MinimumDFTTZP; DZP; SZ-31.98485862; Eh
Results 1-10 of 42 (Search time: 0.001 seconds).