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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/NEUTRAL 2b2pin-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-900.9749634; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 1cpin-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-682.0614792; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 1ames-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-763.7611441; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4H2O_6_21freqBesora, MariaGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPLANL2DZ 6-31G(D,P) GENECP-7001.34847730; Eh
thumbnail.jpeg20-Nov-2020Fe4-SK-O_-7_20Besora, MariaGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPLANL2DZ 6-31G(D,P) GENECP-6999.75496445; 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-2020GD3FeOHFe2FeOH_8_21freqBesora, MariaGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.41245890; Eh
thumbnail.jpeg20-Nov-2020GD3Fe4O_7_20freqBesora, MariaGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYPLANL2DZ 6-31G(D,P) GENECP-7000.21030068; Eh
thumbnail.jpeg14-Oct-2021/Bpin-Bdan TSA2-BdanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1766.69812951; Eh
thumbnail.jpeg14-Oct-2021/Bpin-Bdan A2-BdanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1046.58467722; Eh
Results 121-130 of 130 (Search time: 0.001 seconds).