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Browsing by Author Wang-Yeuk, Kong

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Showing results 1 to 20 of 307  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Apr-20242Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-920.322069063; Eh
thumbnail.jpeg30-Apr-20242_primeWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-920.322183642; Eh
thumbnail.jpeg30-Apr-20243Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-804.624787286; Eh
thumbnail.jpeg12-Aug-202333Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDDEF2SVP-934.888830993; Eh
thumbnail.jpeg12-Aug-202341Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDDEF2SVP-857.593429186; Eh
thumbnail.jpeg12-Aug-202346Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDDEF2SVP-974.189161211; Eh
thumbnail.jpeg30-Apr-20246Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-804.611913986; Eh
thumbnail.jpeg16-May-2023BCFWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDDEF2SVPP-2205.97668995; Eh
thumbnail.jpeg19-Sep-2022/Benzofuran IM0Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-1102.25585017; Eh
thumbnail.jpeg19-Sep-2022/Benzofuran IM1BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-4035.86023527; Eh
thumbnail.jpeg19-Sep-2022/Benzofuran IM2AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-4035.83295834; Eh
thumbnail.jpeg19-Sep-2022/Benzofuran TS1BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-4035.74858563; Eh
thumbnail.jpeg19-Sep-2022/Benzofuran TS2AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRM062XDEF2SVP-4035.74913407; Eh
thumbnail.jpeg7-Jul-2022C6H5FWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2TZVP-331.251442169; Eh
thumbnail.jpeg7-Jul-2022CF4Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRPBE1PBEDEF2TZVP-437.275206757; Eh
thumbnail.jpeg19-Sep-2022/Common_Structures Br_anionWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Single point MinimumRM062XDEF2SVP-2574.02294397; Eh
thumbnail.jpeg19-Sep-2022/Common_Structures Br_BpinWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-2984.72798774; Eh
thumbnail.jpeg19-Sep-2022/Common_Structures I2Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-595.258454979; Eh
thumbnail.jpeg19-Sep-2022/Common_Structures I2_dimerWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-1190.52258133; Eh
thumbnail.jpeg19-Sep-2022/Common_Structures I3_anionWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062XDEF2SVP-893.073921669; Eh
Showing results 1 to 20 of 307  next >