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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/LITHIUM 1adan-LiMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-567.0048547; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1cpinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-681.4493967; 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/ANIONIC 1aNpinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-410.672679023; Eh
thumbnail.jpeg10-Mar-2021/SUBSTRACT FormaldehydeMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-114.461209014; 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.jpeg14-Oct-2021/STEP-A/iPrOH BpinBneop-OiPrMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-976.866669964; Eh
Results 51-60 of 167 (Search time: 0.001 seconds).