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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2020bs1Co-O-OH2_TS2-5_2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-4062.15306424; 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-2020Fe4-SK-O_-6_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-6999.51735036; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4OH_6_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.64683927; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4O_7_20freqBesora, MariaGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.21030068; Eh
thumbnail.jpeg20-Nov-2020Co-OH_-6_4Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-3910.55270933; Eh
Results 141-146 of 146 (Search time: 0.001 seconds).