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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/ANIONIC 1cpinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-681.4493967; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1epinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-488.4878508; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2a2danMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1079.1124978; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2apinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-861.0539351; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2apindanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XD6-31G(D,P)-970.092002058; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2b2danMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1118.414064; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2b2pinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-900.3557513; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2bpindanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1009.3950879; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2c2danMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1310.1102861; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2c2pinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1092.0514345; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2cpindanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1201.088593; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 32pindanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XD6-31G(D,P)-1380.70652620; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 33danMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1598.7505344; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 3pin2danMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1489.7333927; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1adan-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-651.884664343; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1adan-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-651.872764508; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1ames-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-855.586037349; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1ames-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-855.558745270; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1aNpin-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-503.097177150; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1aNpin-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-503.092152221; Eh