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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Feb-2018Compound3Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--6168.37906586; Eh
thumbnail.jpeg16-Feb-2018Compound7Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--6267.36901769; Eh
thumbnail.jpeg16-Feb-2018Compound6Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--5979.48907113; Eh
thumbnail.jpeg16-Feb-2018Compound2Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--5979.79875883; Eh
thumbnail.jpeg16-Feb-2018Compound1Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--6267.67537170; Eh
thumbnail.jpeg16-Feb-2018Compound4apostrophePoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--6168.81239968; Eh
Login required24-Sep-2016Ag3-Pd15-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--9517.18803180; Eh
Login required24-Sep-2016MgPd12AgNa3_nowat-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--23232.4542874; Eh
Login required7-Oct-20202c_MeCNWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-2086.83148773; Eh
Login required7-Oct-20202cWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-1954.03350363; Eh
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