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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/COPPER/TS 33dan-Cu-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-3311.92866685; Eh
thumbnail.jpeg10-Mar-2021/PALLADIUM/TS 1apin-Pd-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-1407.96286464; Eh
thumbnail.jpeg10-Mar-2021/COPPER/TS 1apin-Cu-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-2163.67877407; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM/TS 33pin-Li-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1393.67238370; Eh
thumbnail.jpeg10-Mar-2021/COPPER/TS 33pin-Cu-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-2984.88589946; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM/TS 2a2pin-Li-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-983.103068037; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM/TS 1apin-Li-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-572.489064972; 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 1cpin-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-773.856760396; 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
Results 11-20 of 75 (Search time: 0.001 seconds).