1. Institute of Chemical Research of Catalonia

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Jul-2025TS1_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureUM06GENECP-3702.2427154; Eh
thumbnail.jpeg17-Jul-2025TS4_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM06GENECP-5117.4754458; Eh
thumbnail.jpeg17-Jul-2025IV_m062xLi, YingziGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XDEF2TZVP-1410.1036095; Eh
thumbnail.jpeg17-Jul-2025A_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM06GENECP-2311.9329234; Eh
thumbnail.jpeg17-Jul-2025TS1_m062xLi, YingziGaussian; 16; ES64L-G16RevC.01Single point StructureUM062XDEF2TZVP-1376.9876817; Eh
thumbnail.jpeg17-Jul-2025VII_m062xLi, YingziGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XDEF2TZVP-780.8525906; Eh
thumbnail.jpeg17-Jul-2025V_m062xLi, YingziGaussian; 16; ES64L-G16RevC.01Single point StructureUM062XDEF2TZVP-780.2294951; Eh
thumbnail.jpeg17-Jul-2025Py_m062xLi, YingziGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XDEF2TZVP-861.306296; Eh
thumbnail.jpeg17-Jul-2025PhI_m062xLi, YingziGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XDEF2TZVP-529.2656394; Eh
thumbnail.jpeg17-Jul-2025VI_m062xLi, YingziGaussian; 16; ES64L-G16RevC.01Single point StructureRM062XDEF2TZVP-865.0812442; Eh
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