1. Institute of Chemical Research of Catalonia

Browsing by Author Xie, Jiale

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Showing results 1 to 20 of 66  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required1-Sep-20231aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1456.6900584; Eh
thumbnail.jpeg30-Apr-20241aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1456.6900584; Eh
Login required1-Sep-20231jXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1342.1760974; Eh
thumbnail.jpeg30-Apr-20241jXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1342.1760974; Eh
Login required1-Sep-20232aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1455.4785947; Eh
thumbnail.jpeg30-Apr-20242aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1455.4785947; Eh
Login required1-Sep-2023A-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1456.4804449; Eh
thumbnail.jpeg30-Apr-2024A-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1456.4804449; Eh
Login required1-Sep-2023A-1jXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1341.9489764; Eh
thumbnail.jpeg30-Apr-2024A-1jXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1341.9489764; Eh
Login required1-Sep-2023A1-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1982.8698276; Eh
thumbnail.jpeg30-Apr-2024A1-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1982.8698276; Eh
Login required1-Sep-2023B-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1456.0459921; Eh
thumbnail.jpeg30-Apr-2024B-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1456.0459921; Eh
Login required1-Sep-2023B1-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1982.8859895; Eh
thumbnail.jpeg30-Apr-2024B1-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-1982.8859895; Eh
Login required1-Sep-2023C-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1455.8924423; Eh
thumbnail.jpeg30-Apr-2024C-1aXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1455.8924423; Eh
Login required1-Sep-2023CF3radicalXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-337.5905399; Eh
thumbnail.jpeg30-Apr-2024CF3radicalXie, JialeGaussian; 16; AM64L-G16RevA.03Single point StructureUM06DEF2TZVP-337.5905399; Eh
Showing results 1 to 20 of 66  next >