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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Feb-2018VCo4_S0_freqPoblet, Josep M.Gaussian; 09; EM64L-G09RevC.01Geometry optimization StructureUB3LYP--7217.44449810; Eh
Login required7-Oct-20202aWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYP6-31G(D,P)-3616.37762068; Eh
thumbnail.jpeg14-May-2018/NbL TS2-activ_LSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpeg20-Nov-2020GD2Fe4H2O_6_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.72154724; Eh
thumbnail.jpeg16-Feb-2018Compound5apostrophePoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization StructureRB3LYP--6092.84018420; Eh
thumbnail.jpeg16-Feb-2018Compound3apostrophePoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--6168.34694731; Eh
thumbnail.jpeg16-Feb-2018Compound1Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--6267.67537170; Eh
thumbnail.jpeg16-Feb-2018Compound3Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYP--6168.37906586; Eh
thumbnail.jpeg16-Feb-2018Compound5Poblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUB3LYP--6092.77329781; Eh
Login required7-Oct-20201bWang, FeiGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3832.76204976; Eh
Results 11-20 of 449 (Search time: 0.001 seconds).