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Browsing by Author Wang-Yeuk, Kong

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Showing results 1 to 20 of 943  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Jun-20241Wang-Yeuk, KongGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRCAM-B3LYP6-31G(D)-424.210660434; Eh
thumbnail.jpeg9-Jul-20241Wang-Yeuk, KongGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XDDEF2TZVP-194.015691899; Eh
thumbnail.jpeg30-Apr-20242Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-920.322069063; Eh
thumbnail.jpeg9-Jul-20242Wang-Yeuk, KongGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XDDEF2TZVP-1745.83703039; 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.jpeg9-Jul-20243Wang-Yeuk, KongGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDDEF2TZVP-1983.65448021; Eh
thumbnail.jpeg12-Aug-202333Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDDEF2SVP-934.888830993; Eh
thumbnail.jpeg9-Jul-20244Wang-Yeuk, KongGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XDDEF2TZVP-1551.74501508; 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.jpeg9-Jul-20245Wang-Yeuk, KongGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDDEF2TZVP-1789.56240151; Eh
thumbnail.jpeg30-Apr-20246Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRM062X6-311G(D,P)-804.611913986; Eh
thumbnail.jpeg14-Jun-2024/631Gd/APFD AWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum-6-31G(D)-347.742341927; Eh
Login required14-Jun-2024/631Gd/APFD BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum-6-31G(D)-347.745121151; Eh
thumbnail.jpeg14-Jun-2024/631Gd/APFD BWang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization Minimum-6-31G(D)-347.745121151; Eh
Login required14-Jun-2024/631Gd/APFD TS2Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-6-31G(D)-347.738087613; Eh
thumbnail.jpeg14-Jun-2024/631Gd/APFD TS2Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-6-31G(D)-347.738087613; Eh
Login required14-Jun-2024/631Gd/APFD TS3Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-6-31G(D)-347.740570864; Eh
thumbnail.jpeg14-Jun-2024/631Gd/APFD TS3Wang-Yeuk, KongGaussian; 16; ES64L-G16RevA.03Geometry optimization TS-6-31G(D)-347.740570864; Eh
Showing results 1 to 20 of 943  next >