1. Institute of Chemical Research of Catalonia

Browsing by Author Li, Yingzi

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Showing results 1 to 20 of 149  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Feb-20261Li, YingziGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D)-867.204653443; Eh
thumbnail.jpeg17-Jul-202516a__m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM066-311+G(D,P)-1579.0180661; Eh
thumbnail.jpeg17-Jul-202516a_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM066-311+G(D,P)-1579.4805906; Eh
thumbnail.jpeg5-Feb-20261_m06Li, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-866.8576188; Eh
thumbnail.jpeg12-Mar-20261cLi, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1227.8351796; Eh
thumbnail.jpeg12-Mar-20261c5Li, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1227.8694733; Eh
thumbnail.jpeg5-Feb-20262Li, YingziGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D)-537.572813158; Eh
thumbnail.jpeg17-Jul-202521a__m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM066-311+G(D,P)-1621.8679259; Eh
thumbnail.jpeg17-Jul-202521b__m06Li, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06GENECP-852.0445162; Eh
thumbnail.jpeg17-Jul-202521c__m06Li, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06GENECP-852.0419824; Eh
thumbnail.jpeg17-Jul-202521d__m06Li, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06GENECP-852.0450126; Eh
thumbnail.jpeg17-Jul-202525a__m06Li, YingziGaussian; 16; ES64L-G16RevC.01Single point StructureRM066-311+G(D,P)-960.5404366; Eh
thumbnail.jpeg5-Feb-20262_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM06DEF2TZVP-537.359556; Eh
thumbnail.jpeg5-Feb-20263Li, YingziGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D)-1216.23643420; Eh
thumbnail.jpeg5-Feb-20263_m06Li, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1215.6843298; Eh
thumbnail.jpeg5-Feb-20263‘Li, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1215.6663057; Eh
thumbnail.jpeg5-Feb-20263‘_m06Li, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-1215.6663057; Eh
thumbnail.jpeg17-Jul-2025A_m06Li, YingziGaussian; 16; ES64L-G16RevA.03Single point StructureRM06GENECP-2311.9329234; Eh
thumbnail.jpeg12-Mar-2026AnthraceneLi, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-539.2828776; Eh
thumbnail.jpeg12-Mar-2026Anthracene1Li, YingziGaussian; 16; AM64L-G16RevA.03Single point StructureRM06DEF2TZVP-539.2991475; Eh
Showing results 1 to 20 of 149  next >