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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Oct-2021/Bpin-Bdan E-2Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-720.133086838; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE C-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1618.39519540; Eh
thumbnail.jpeg14-Oct-2021/STEP-B/MeOH BneopBpin-OMeMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-898.243857237; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE B2neop2-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-743.714666520; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE B-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1131.37047493; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE BpinBneop-OCH2CF3Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1235.21243138; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE Product-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-720.132992475; Eh
thumbnail.jpeg14-Oct-2021/STEP-B/MeOH B_Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1092.04974297; Eh
thumbnail.jpeg14-Oct-2021/Bpin-Bdan A2-BpinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1046.59269834; Eh
thumbnail.jpeg14-Oct-2021/Bpin-Bdan BpinBdanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-931.378852174; Eh
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