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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH BpinBneop-OMeMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-898.247458803; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH OMeMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-115.145738324; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE TSA-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1955.32141469; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE Bneop-OCH2CF3Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-823.964597315; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE OCH2CF3Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-452.121681611; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE E-1-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-759.451179205; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE A-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1195.89063325; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH BpinBneop-OiPrMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-976.866669964; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH B2neop2-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-743.714371936; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH Product-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-720.132793607; Eh
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