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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/COPPER 2c2pin-CuMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDLANL2DZ 6-31G(D,P) GENECP-2690.8074603; Eh
thumbnail.jpeg10-Mar-2021/COPPER 1cpin-CuMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDLANL2DZ 6-31G(D,P) GENECP-2280.1969394; Eh
thumbnail.jpeg10-Mar-2021/SUBSTRACT PPh3Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-701.245503933; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM 1apin-LiMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-457.9980592; Eh
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/PALLADIUM 1apin-PdMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1994.81814577; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM/TS 2a2pin-Li-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-983.127174185; Eh
thumbnail.jpeg10-Mar-2021/COPPER 33pin-CuMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDLANL2DZ 6-31G(D,P) GENECP-2870.4387639; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM/TS 1apin-Li-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-572.493555743; Eh
Results 31-40 of 178 (Search time: 0.001 seconds).