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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/LITHIUM 1bdan-LiMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-497.2989331; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1apinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XD6-31G(D,P)-450.431158403; Eh
thumbnail.jpeg10-Mar-2021/COPPER/TS 33pin-Cu-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-2984.88589946; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM/TS 2a2pin-Li-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-983.103068037; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM/TS 1apin-Li-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-572.489064972; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM 33pin-LiMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1279.2035254; Eh
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/LITHIUM 1bpin-LiMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-497.2989331; 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 1cpinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-681.4493967; Eh
Results 51-60 of 178 (Search time: 0.001 seconds).