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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 33pin-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1364.08483438; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1cpin-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-773.870609760; 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 33pin-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-1364.06403122; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1apin-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-542.848414971; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 32pindan-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1381.28732634; Eh
thumbnail.jpeg10-Mar-2021/NEUTRAL 2a2pin-HMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-861.6728786; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC/TS 1apin-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-542.855130666; Eh
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 1aNpin-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-503.092152221; Eh
Results 111-120 of 167 (Search time: 0.001 seconds).