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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 TSA-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1696.97325961; 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
thumbnail.jpeg10-Mar-2021/ANIONIC 32pindanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point MinimumRwB97XD6-31G(D,P)-1380.70652620; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2bpindanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1009.3950879; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2cpindanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1201.088593; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2c2danMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1310.1102861; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2a2danMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1079.1124978; Eh
thumbnail.jpeg10-Mar-2021/ANIONIC 2b2danMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1118.414064; Eh
Results 331-340 of 476 (Search time: 0.001 seconds).