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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Nov-2023/Co3W-WK AtoB_Co3W(H)-OH2Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7288.15683637; Eh
thumbnail.jpeg6-Nov-2023/Co3W-WK B_Co3W(HH)-OH2Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7288.80277618; Eh
thumbnail.jpeg6-Nov-2023/Co2Fe2-WK K_Co2Fe2-OHBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7320.97065774; Eh
thumbnail.jpeg6-Nov-2023/Co3W-WK A_Co3W-OH2Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7287.85156383; Eh
thumbnail.jpeg6-Nov-2023/Co3W-WK E_Co3W-OHBesora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7286.81906617; Eh
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