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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2020GD3bjFeOHFe2FeOH_8_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.67879620; Eh
thumbnail.jpeg20-Nov-2020GD3bjFe4OH_7_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.15039421; Eh
thumbnail.jpeg20-Nov-2020GD3bjFe4Or_6_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.24055678; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4H2O_5_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.07542931; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4H2O_6_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.34847730; Eh
thumbnail.jpeg20-Nov-2020GD3bjH2OBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYP6-31G(D,P) GENECP-76.4257012912; Eh
thumbnail.jpeg20-Nov-2020GD2H2OBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYP6-31G(D,P) GENECP-76.4251652220; Eh
thumbnail.jpeg20-Nov-2020GD3bjFe4OH_5_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.66540052; Eh
thumbnail.jpeg20-Nov-2020Fe4-SK-OH_-5_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-6999.93848952; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4Or_6_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-6999.97655280; Eh
Results 51-60 of 115 (Search time: 0.001 seconds).