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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2024/Metal_structures/Ni_structures Ni15Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--58.10510174; eV
thumbnail.jpeg1-Mar-2024/Metal_structures/Ni_structures Ni6Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--20.03181442; eV
thumbnail.jpeg1-Mar-2024/Gas_phase CO2(g)-10degStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--22.91780751; eV
thumbnail.jpeg1-Mar-2024/Gas_phase C(g)Strugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--1.26153992; eV
thumbnail.jpeg1-Mar-2024/Gas_phase CO2(g)-30degStrugovshchikov, Evgeniivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--22.34584349; eV
Login required6-Feb-2024Th@C3(18)Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.38307332; Eh
Login required6-Feb-2024Th@C2(14)Rosello, YannickADF; 2019; 306Geometry optimizationPBE0 == Not Default ==TZP-34.38952502; Eh
Results 621-627 of 627 (Search time: 0.001 seconds).