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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/PALLADIUM 33pin-PdMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-2816.01592941; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH BpinBneop-OMeMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-898.247458803; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH OMeMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-115.145738324; 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/TS 2a2pin-Li-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-983.127174185; 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 1apin-Li-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-572.493555743; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE Bneop-OCH2CF3Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-823.964597315; Eh
thumbnail.jpeg10-Mar-2021/PALLADIUM 2a2pin-PdMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-2405.42405438; Eh
thumbnail.jpeg10-Mar-2021/SUBSTRACT Ag-PPh3Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XDLANL2DZ 6-31G(D,P) GENECP-1548.15987401; Eh
Results 1-10 of 65 (Search time: 0.0 seconds).