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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Apr-2019P12_P109_charge0_mult1Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-1871.67037175; Eh
thumbnail.jpeg24-Apr-2019P12_P109_charge0_mult3Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1871.66561262; Eh
thumbnail.jpeg24-Apr-2019GrapheneMates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p)-1839.59583044; Eh
thumbnail.jpeg24-Apr-2019P41_P710_charge0_mult3Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1871.66614166; Eh
thumbnail.jpeg24-Apr-2019P41_P710_charge0_mult5Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1871.58168402; 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_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_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_OH16Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1947.88902623; Eh
thumbnail.jpeg24-Apr-2019G32_P109_OH12Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1947.86832985; Eh
Results 1-10 of 318 (Search time: 0.002 seconds).