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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/NEUTRAL 2apindan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-970.6930014; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 1epin-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-489.1471187; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 1apin-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-451.085659; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1aPhF-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1611.77350145; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 33dan-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1691.16494851; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 2c2dan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1310.68445970; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 2b2dan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1119.0080822; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 33dan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1599.31395644; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 1aPhF-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1519.9219711; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 1adan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-560.1033967; Eh
Results 141-150 of 178 (Search time: 0.0 seconds).