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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Nov-20226cLiu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-4657.36240700; Eh
thumbnail.jpeg10-Nov-2022R3Liu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D,P)-2803.07874718; Eh
thumbnail.jpeg10-Nov-2022P3Liu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D,P)-952.734549571; Eh
thumbnail.jpeg10-Nov-2022R4-PdL2Liu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-2546.10644536; Eh
thumbnail.jpeg10-Nov-20227dLiu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-2659.47724395; Eh
thumbnail.jpeg10-Nov-202221Liu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-2407.07507362; Eh
thumbnail.jpeg10-Nov-20228b_Liu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-4382.87163470; Eh
thumbnail.jpeg10-Nov-2022NaClLiu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-31G(D,P)-622.558657746; Eh
thumbnail.jpeg10-Nov-20222ALiu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-1920.17485634; Eh
thumbnail.jpeg10-Nov-20223ALiu, LinGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPGENECP-1920.21211319; Eh
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