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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 2a2pin-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-953.462619255; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1aPhF-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-1611.74339404; 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
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/NEUTRAL 2bpindan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1009.9936947; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 33pin-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1272.2654775; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 1bdan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-599.4055742; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 2a2pin-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-953.476396803; 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-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-1691.13346618; Eh
Results 391-400 of 449 (Search time: 0.001 seconds).