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Showing results 2430 to 2449 of 5966 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Mar-2025H_11_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3448147; Eh
thumbnail.jpeg31-Mar-2025H_11_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4385696; Eh
thumbnail.jpeg31-Mar-2025H_12_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.784317489; Eh
thumbnail.jpeg31-Mar-2025H_12_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.856080453; Eh
thumbnail.jpeg31-Mar-2025H_12_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3616904; Eh
thumbnail.jpeg31-Mar-2025H_12_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4399425; Eh
thumbnail.jpeg31-Mar-2025H_13_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.770702717; Eh
thumbnail.jpeg31-Mar-2025H_13_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.861578406; Eh
thumbnail.jpeg31-Mar-2025H_13_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3486623; Eh
thumbnail.jpeg31-Mar-2025H_13_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4462088; Eh
thumbnail.jpeg31-Mar-2025H_14_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.782394525; Eh
thumbnail.jpeg31-Mar-2025H_14_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.860336837; Eh
thumbnail.jpeg31-Mar-2025H_14_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3582141; Eh
thumbnail.jpeg31-Mar-2025H_14_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4446881; Eh
thumbnail.jpeg31-Mar-2025H_15_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.769753649; Eh
thumbnail.jpeg31-Mar-2025H_15_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.853271984; Eh
thumbnail.jpeg31-Mar-2025H_15_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureUwB97XDDEF2TZVPP-1000.3488773; Eh
thumbnail.jpeg31-Mar-2025H_15_speSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVPP-1000.4380384; Eh
thumbnail.jpeg31-Mar-2025H_16_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPDEF2SVP-999.788622338; Eh
thumbnail.jpeg31-Mar-2025H_16_optSarfraz, IqraGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPDEF2SVP-999.854987090; Eh
Showing results 2430 to 2449 of 5966 < previous   next >