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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Sep-20192_ads-b_t-2Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complexGeometry optimizationDFT--365.40817010; eV
thumbnail.jpeg10-Sep-20191_ads-t-2Mates Torres, Ericvasp; 5.4.1; 24Jun15 (build Jun 13 2018 12:02:29) complexGeometry optimizationDFT--291.75002067; eV
thumbnail.jpeg24-Apr-2019H2Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p)-1.17238365019; Eh
thumbnail.jpeg24-Apr-2019G32_P109_charge0_mult4Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1872.20327501; Eh
thumbnail.jpeg24-Apr-2019G32_P109_charge0_mult2Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1872.24662319; Eh
thumbnail.jpeg24-Apr-2019G32_P109_charge1_mult1Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-1872.10829688; Eh
thumbnail.jpeg24-Apr-2019G32_P109_OOH105Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2022.99951896; Eh
thumbnail.jpeg24-Apr-2019G32_P109_OOH104Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2022.99964773; Eh
thumbnail.jpeg24-Apr-2019G32_P109_OH910Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1947.92360729; Eh
thumbnail.jpeg24-Apr-2019G32_P109_OOH910Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-2023.03132801; Eh
Results 31-40 of 370 (Search time: 0.001 seconds).