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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Feb-2018VCo4_S1prime_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7217.23402842; Eh
thumbnail.jpeg16-Feb-2018VCo4_S1_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7216.75887995; Eh
Login required24-Sep-2016Ag4-Pd13-nowatLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--23109.1932097; Eh
Login required24-Sep-2016Ag1-Pd13-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--22901.4455916; Eh
Login required24-Sep-2016Ag2-Pd13-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--23276.4880449; Eh
Login required24-Sep-2016Ag4-Pd13-water-optLang, Zhong LingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--24026.5495118; Eh
Login required7-Oct-20203cWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-1954.16635197; Eh
Login required7-Oct-20202bWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-3833.95392149; Eh
Login required7-Oct-20202aWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYP6-31G(D,P)-3616.37762068; Eh
Login required7-Oct-20205cWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-2142.85858411; Eh
Results 41-50 of 146 (Search time: 0.0 seconds).