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Showing results 2170 to 2189 of 4713 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-May-2023HCN-HNCIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point MinimumRMP2-FullAUG-CC-PVTZ GEN-185.809177444; Eh
thumbnail.jpeg10-May-2023HCN-IFIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point MinimumRMP2-FullAUG-CC-PVTZ GEN-487.012118693; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIII_S0Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2600407; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIII_S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.278459; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIII_S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2923937; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIV_oxyl_S0Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2726177; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIV_oxyl_S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2936001; Eh
thumbnail.jpeg28-Jul-2022hexanoic-MnIV_oxyl_S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPDEF2TZVPP-2609.2745739; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_carb-beta-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2464312; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_carb-delta-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2622492; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_carb-delta-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.258796; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_carb-gamma-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2623944; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_carb-gamma-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2587802; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_oxo-beta-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2889577; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_oxo-delta-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2881913; Eh
thumbnail.jpeg28-Jul-2022hexanoic-TS_oxo-gamma-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2828292; Eh
thumbnail.jpeg18-Oct-2022hfBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-100.0330794; Eh
thumbnail.jpeg19-Oct-2022hfBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-100.0330794; Eh
thumbnail.jpeg13-Feb-2023hfBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRHFAUG-CC-PVDZ-100.0330794; Eh
thumbnail.jpeg25-Oct-2023/HFIPP A1Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-6117.70693980; Eh
Showing results 2170 to 2189 of 4713 < previous   next >