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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 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
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1cpin-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-773.856760396; 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/NEUTRAL 2cpindan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1201.6685722; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 1cdan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-791.0807658; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 1bpin-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-490.3876246; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 33danMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1598.7505344; Eh
thumbnail.jpeg28-Dec-2020Zr(OOH)2-protonated_conformer2Solé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-2044.01286905; Eh
Results 371-380 of 449 (Search time: 0.001 seconds).