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Showing results 338 to 357 of 738 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2020GD2Fe4H2O_5_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.44567952; Eh
thumbnail.jpeg20-Nov-2020GD2Fe4H2O_6_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.72154724; Eh
thumbnail.jpeg20-Nov-2020GD2Fe4O_7_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.58276659; Eh
thumbnail.jpeg20-Nov-2020GD2Fe4OH_5_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.76651337; Eh
thumbnail.jpeg20-Nov-2020GD2Fe4OH_6_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.02153919; Eh
thumbnail.jpeg20-Nov-2020GD2Fe4OH_7_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.25591227; Eh
thumbnail.jpeg20-Nov-2020GD2Fe4Or_6_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.34540176; Eh
thumbnail.jpeg20-Nov-2020GD2FeOHFe2FeOH_8_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.78329308; Eh
thumbnail.jpeg20-Nov-2020GD2H2OBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYP6-31G(D,P) GENECP-76.4251652220; Eh
thumbnail.jpeg20-Nov-2020GD3bjFe4H2O_5_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.34118358; Eh
thumbnail.jpeg20-Nov-2020GD3bjFe4H2O_6_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.61513224; Eh
thumbnail.jpeg20-Nov-2020GD3bjFe4O_7_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.47775661; 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-2020GD3bjFe4OH_6_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Single point Structure-LANL2DZ 6-31G(D,P)-7000.90322949; 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-2020GD3bjFeOHFe2FeOH_8_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.67879620; Eh
thumbnail.jpeg20-Nov-2020GD3bjH2OBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYP6-31G(D,P) GENECP-76.4257012912; 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
Showing results 338 to 357 of 738 < previous   next >