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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Sep-2020Na-I1Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1343.14374260; 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-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_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
thumbnail.jpeg24-Apr-2019G32_P109_OH29Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1947.88608209; Eh
thumbnail.jpeg24-Apr-2019G32_P109_OH13Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUwB97XD6-31g(d,p); 6-31+g(d,p)-1947.92207039; Eh
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