1. Institute of Chemical Research of Catalonia

Browsing by Author Rodríguez Sugranyes, Arnau

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required11-Sep-2024IaRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D,P) GENECP-4899.46157104; Eh
Login required11-Sep-2024IIaRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D,P) GENECP-4899.43516621; Eh
Login required11-Sep-2024IIIaRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D,P) GENECP-4899.43926196; Eh
Login required11-Sep-2024IIIbRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1250.83084628; Eh
Login required11-Sep-2024IIIcRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1175.62406095; Eh
Login required11-Sep-2024IIIdRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1235.53043742; Eh
Login required11-Sep-2024IIIeRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1473.33504109; Eh
Login required11-Sep-2024IIIfRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1587.86327779; Eh
Login required11-Sep-2024IVbRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1250.83615057; Eh
Login required11-Sep-2024IVcRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1175.62599506; Eh
Login required11-Sep-2024IVdRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1235.53107451; Eh
Login required11-Sep-2024IVeRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1473.33209866; Eh
Login required11-Sep-2024IVfRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPSDD 6-31G(D,P) GENECP-1587.87149724; Eh
Login required11-Sep-2024I´aRodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D,P) GENECP-4899.46559576; Eh
Login required11-Sep-2024SI10Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D,P) GENECP-4899.44113960; Eh
Login required11-Sep-2024SI7Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D,P) GENECP-4899.43541293; Eh
Login required11-Sep-2024SI8Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D,P) GENECP-4899.46069378; Eh
Login required11-Sep-2024SI9Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD 6-31G(D,P) GENECP-4899.43512570; Eh
Login required11-Sep-2024TS(Ia-Ia´)Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD 6-31G(D,P) GENECP-4899.40990599; Eh
Login required11-Sep-2024TS(Ia-IIa)Rodríguez Sugranyes, ArnauGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD 6-31G(D,P) GENECP-4899.42715477; Eh
Showing results 1 to 20 of 63  next >