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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Nov-2020bs1Fe4-SK-O-OH2_TS1T-7_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7075.51289733; Eh
thumbnail.jpeg20-Nov-2020bs1Fe4-SK-O-OH2_TS1B-7_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7075.50721626; Eh
thumbnail.jpeg20-Nov-2020bs1Fe4-SK-O-OH2_TS2-7_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUB3LYPLANL2DZ 6-31G(D,P) 6-31G GENECP-7151.96746490; Eh
thumbnail.jpeg20-Nov-2020Fe4-SK-O-OH2_TS1B-7_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUB3LYPLANL2DZ 6-31G(D,P) GENECP-7076.15567806; Eh
thumbnail.jpeg20-Nov-2020Fe4-SK-O-OH2_TS1T-7_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUB3LYPLANL2DZ 6-31G(D,P) GENECP-7076.15647586; Eh
thumbnail.jpeg20-Nov-2020Fe4-SK-O-OH2_TS2-7_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Geometry optimization TSUB3LYPLANL2DZ 6-31G(D,P) GENECP-7152.61042869; Eh
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