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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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.jpeg10-Mar-2021/SUBSTRACT LiMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-7.29236553425; 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.jpeg10-Mar-2021/SUBSTRACT FormaldehydeMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-114.461209014; 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.jpeg10-Mar-2021/SUBSTRACT Pd-PPh3Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1544.10831674; Eh
thumbnail.jpeg10-Mar-2021/SUBSTRACT Cu-PPh3Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1598.54805816; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1aNpinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-410.672679023; Eh
Results 11-20 of 65 (Search time: 0.001 seconds).