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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/SILVER 2a2pin-AgMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-2409.42769372; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1apinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XD6-31G(D,P)-450.431158403; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2apindanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XD6-31G(D,P)-970.092002058; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1cdanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XD6-31G(D,P)-790.476028284; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 32pindanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XD6-31G(D,P)-1380.70652620; Eh
thumbnail.jpeg20-Nov-2020Fe4-SK-OHiOH_-8_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Single point MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-6999.95930590; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4OH_7_21freqBesora, MariaGaussian; 16; ES64L-G16RevA.03Single point MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.88386026; Eh
thumbnail.jpeg20-Nov-2020Fe4-SK-OH_-7_21Besora, MariaGaussian; 16; ES64L-G16RevA.03Single point MinimumUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.42562932; Eh
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