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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-2019P41_P710_charge0_mult1Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-1871.67656751; Eh
thumbnail.jpeg24-Apr-2019H2OMates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31+g(d,p); 6-31g(d,p)-76.4231761204; Eh
thumbnail.jpeg24-Apr-2019GrapheneMates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p)-1839.59583044; Eh
thumbnail.jpeg24-Apr-2019H2Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p)-1.17238365019; Eh
thumbnail.jpeg24-Apr-2019G32_G89_charge0_mult1Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-1872.81500513; 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_G89_OH61Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-1948.50313460; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OH36Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-1948.43391661; Eh
thumbnail.jpeg24-Apr-2019G32_G89_OH33Mates Torres, EricGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31g(d,p); 6-31+g(d,p)-1948.46874617; Eh
Results 1-10 of 90 (Search time: 0.002 seconds).