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Showing results 2455 to 2474 of 5966 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Mar-2025H_17_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.449387; Eh
thumbnail.jpeg31-Mar-2025H_18_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.788344006; Eh
thumbnail.jpeg31-Mar-2025H_18_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.866295934; Eh
thumbnail.jpeg31-Mar-2025H_18_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.36537; Eh
thumbnail.jpeg31-Mar-2025H_18_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4500679; Eh
thumbnail.jpeg31-Mar-2025H_19_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.779935074; Eh
thumbnail.jpeg31-Mar-2025H_19_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.857071485; Eh
thumbnail.jpeg31-Mar-2025H_19_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3559825; Eh
thumbnail.jpeg31-Mar-2025H_19_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4418142; Eh
thumbnail.jpeg31-Mar-2025H_20_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.767049153; Eh
thumbnail.jpeg31-Mar-2025H_20_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.849854063; Eh
thumbnail.jpeg31-Mar-2025H_20_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3480382; Eh
thumbnail.jpeg31-Mar-2025H_20_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4347548; Eh
thumbnail.jpeg31-Mar-2025H_21_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.778188561; Eh
thumbnail.jpeg31-Mar-2025H_21_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.856764047; Eh
thumbnail.jpeg31-Mar-2025H_21_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3550937; Eh
thumbnail.jpeg31-Mar-2025H_21_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4414886; Eh
thumbnail.jpeg31-Mar-2025H_22_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.765232318; Eh
thumbnail.jpeg31-Mar-2025H_22_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.852802771; Eh
thumbnail.jpeg31-Mar-2025H_22_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3453023; Eh
Showing results 2455 to 2474 of 5966 < previous   next >