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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH C-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1131.37513200; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH B-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1131.36876583; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH BneopOiPrMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-565.629402451; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH A-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-937.544014324; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH OiPrMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-193.764169360; 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 CMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1131.37759745; 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-B/MeOH BpinOMeMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-526.323703671; Eh
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