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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg10-Mar-2021/COPPER/TS 2a2pin-Cu-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-2574.28212818; Eh
thumbnail.jpeg10-Mar-2021/LITHIUM/TS 33pin-Li-aductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1393.72072688; Eh
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/ANIONIC 2b2pinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-900.3557513; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1aPhFMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1519.352166; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2c2pinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1092.0514345; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2apinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-861.0539351; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 1epinMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-488.4878508; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH B-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1131.36876583; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH TSB-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1131.33608896; Eh
Results 71-80 of 167 (Search time: 0.0 seconds).