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Browsing by Subject Homogeneous catalysis

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Showing results 65 to 80 of 80 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Oct-2020RC_C70_betaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4302754; Eh
thumbnail.jpeg22-Oct-2020RC_C70_betaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4302754; Eh
thumbnail.jpeg28-Jul-2022RRMnpdp-RCBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5249475; Eh
thumbnail.jpeg28-Jul-2022RRMnpdp-TS18aBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5133112; Eh
thumbnail.jpeg28-Jul-2022RRMnpdp-TS18bBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5058282; Eh
thumbnail.jpeg28-Jul-2022SSMnpdp-RCBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5267354; Eh
thumbnail.jpeg28-Jul-2022SSMnpdp-TS18aBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5066787; Eh
thumbnail.jpeg28-Jul-2022SSMnpdp-TS18bBesalú-Sala, PauGaussian; 16; ES64L-G16RevB.01Single point StructureUB3LYPDEF2TZVPP-2913.5127697; Eh
Login required22-Oct-2020TS_C60Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3471.279508; Eh
thumbnail.jpeg22-Oct-2020TS_C60Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3471.279508; Eh
Login required22-Oct-2020TS_C70_alphaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4065991; Eh
thumbnail.jpeg22-Oct-2020TS_C70_alphaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4065991; Eh
Login required22-Oct-2020TS_C70_alpha_bisArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4036364; Eh
thumbnail.jpeg22-Oct-2020TS_C70_alpha_bisArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4036364; Eh
Login required22-Oct-2020TS_C70_betaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4041852; Eh
thumbnail.jpeg22-Oct-2020TS_C70_betaArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRM062XCC-PVTZ-3852.4041852; Eh
Showing results 65 to 80 of 80 < previous