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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/SUBSTRACT BromoethaneMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-92.3950565867; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1aNpinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-410.672679023; 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 1adanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-559.4650399; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1bpinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-489.7367197; Eh
thumbnail.jpeg10-Mar-2021/SUBSTRACT CpMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-193.441375390; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1bdanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-598.769636; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2apindanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XD6-31G(D,P)-970.092002058; Eh
Results 51-60 of 167 (Search time: 0.0 seconds).