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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 Product-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-720.132793607; Eh
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.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/COPPER 1cpin-CuMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDLANL2DZ 6-31G(D,P) GENECP-2280.1969394; Eh
thumbnail.jpeg10-Mar-2021/SUBSTRACT BromoethaneMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-92.3950565867; Eh
thumbnail.jpeg10-Mar-2021/SUBSTRACT Cp-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-194.042296726; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1amesMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-763.161976370; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1cdanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XD6-31G(D,P)-790.476028284; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1adanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-559.4650399; Eh
Results 71-80 of 178 (Search time: 0.0 seconds).