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Browsing by Subject Homogeneous catalysis

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Showing results 1 to 20 of 219  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Oct-2020C60Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-2286.1876382; Eh
thumbnail.jpeg22-Oct-2020C60Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-2286.1876382; Eh
Login required22-Oct-2020C70Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-2667.3123052; Eh
thumbnail.jpeg22-Oct-2020C70Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-2667.3123052; Eh
thumbnail.jpeg25-Oct-2023/CF3PYP A1Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-6514.99428794; Eh
thumbnail.jpeg25-Oct-2023/CF3PYP A2Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-6401.68396609; Eh
thumbnail.jpeg25-Oct-2023/CF3PYP A3Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-6480.23237845; Eh
thumbnail.jpeg25-Oct-2023/CF3PYP A4Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-6480.22453184; Eh
thumbnail.jpeg25-Oct-2023/CF3PYP CF3PYPLledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM06CC-PVDZ-3105.61681188; Eh
thumbnail.jpeg25-Oct-2023/CF3PYP TSA3A4Lledó, AgustíGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM06CC-PVDZ-6480.21050897; Eh
Login required22-Oct-2020DIENEArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-1185.1069132; Eh
thumbnail.jpeg22-Oct-2020DIENEArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-1185.1069132; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_I-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2685.7682834; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_I-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2685.7891648; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_II-S0Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2675549; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_II-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2859339; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_II-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.3001318; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_III-S0Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2774234; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_III-S1Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2993547; Eh
thumbnail.jpeg28-Jul-2022dmbutanoic_III-S2Besalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2609.2799833; Eh
Showing results 1 to 20 of 219  next >