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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Oct-2023Zr6-PplusSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-4048.36718417; Eh
thumbnail.jpeg11-Oct-2023Zr6-TS2Solé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYPLANL2DZ 6-31G(D,P) GEN-4559.91259897; Eh
thumbnail.jpeg11-Oct-2023Zr6-Pplus_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4049.5449515; Eh
thumbnail.jpeg11-Oct-2023Zr6-TS2_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4561.2321537; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 2a2dan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1079.70545588; 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/NEUTRAL 1cdan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-791.0807658; Eh
thumbnail.jpeg11-Oct-2023Zr6-I-intra-w_TZSolé-Daura, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311G(D,P) GEN-4561.2369911; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1bpin-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-582.159735595; 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
Results 381-390 of 658 (Search time: 0.001 seconds).