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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH TSC-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1696.98575797; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH AMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-858.925287712; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH BMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1131.37116984; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH B2neop2Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-743.714845263; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH BneopOMeMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-487.006649808; Eh
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 CMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1131.37759745; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH E-1Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-759.451277301; 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/MeOH ProductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-720.133444936; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH TSAMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1618.35676855; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH TSBMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1131.33849545; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH TSCMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1618.36590500; 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/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 B2neop2-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-743.714666520; 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 BpinBneop-OCH2CF3Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1235.21243138; 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-A/TFE E-1-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-759.451179205; Eh