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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Aug-2022Py2bSanjosé-Orduna, JesusGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XD6-31+G(D,P)-1096.70317449; Eh
thumbnail.jpeg9-Aug-2022Py2aSanjosé-Orduna, JesusGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XD6-31+G(D,P)-1096.70761311; Eh
thumbnail.jpeg9-Aug-2022Py3Sanjosé-Orduna, JesusGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-1096.15076009; Eh
thumbnail.jpeg9-Aug-2022Py1Sanjosé-Orduna, JesusGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-861.516123619; Eh
thumbnail.jpeg9-Aug-2022Cy2Sanjosé-Orduna, JesusGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XD6-31+G(D,P)-235.163066381; Eh
thumbnail.jpeg9-Aug-2022Cy1Sanjosé-Orduna, JesusGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-235.832303729; Eh
thumbnail.jpeg9-Aug-2022BP1_starSanjosé-Orduna, JesusGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XD6-31+G(D,P)-576.363152739; Eh
thumbnail.jpeg9-Aug-2022BP1-HSanjosé-Orduna, JesusGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XD6-31+G(D,P)-577.045114959; Eh
thumbnail.jpeg9-Aug-2022BP1Sanjosé-Orduna, JesusGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-576.475261356; Eh
Results 1-9 of 9 (Search time: 0.0 seconds).