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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/TFE A-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1195.89063325; 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/iPrOH BneopOiPrMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-565.629402451; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH E-1-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-759.450973430; 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/MeOH B2neop2Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-743.714845263; 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/iPrOH OiPrMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-193.764169360; 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
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