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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/COPPER 2a2pinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDLANL2DZ 6-31G(D,P) GENECP-2459.8275198; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM 33pin-LiMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1279.2035254; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM 1bdan-LiMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-497.2989331; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM 1bpin-LiMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-497.2989331; Eh
thumbnail.jpeg10-Mar-2021/SUBSTRACT LiMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-7.29236553425; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE A-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1195.89063325; Eh
thumbnail.jpeg10-Mar-2021/PALLADIUM/TS 33pin-Pd-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-2229.15070393; Eh
thumbnail.jpeg10-Mar-2021/COPPER 2b2pin-CuMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDLANL2DZ 6-31G(D,P) GENECP-2499.1290173; 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
Results 51-60 of 178 (Search time: 0.0 seconds).