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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Oct-2021/STEP-B/MeOH A_Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-898.243857237; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/TFE TSB-TFEMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1131.33772164; Eh
thumbnail.jpeg14-Oct-2021/STEP-B/MeOH B_Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-1092.04974297; Eh
thumbnail.jpeg14-Oct-2021/Bpin-Bdan A2-BdanMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XD6-31G(D,P)-1046.58467722; Eh
thumbnail.jpeg14-Oct-2021/STEP-B/MeOH TSB_Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XD6-31G(D,P)-1618.34229262; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH B2neop2Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-743.714845263; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/iPrOH E-1-iPrOHMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-759.450973430; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH ProductMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-720.133444936; Eh
thumbnail.jpeg14-Oct-2021/STEP-A/MeOH E-1Maza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRwB97XD6-31G(D,P)-759.451277301; Eh
thumbnail.jpeg13-Jul-2022/(E)-(3-methylbuta-1,3-dien-1-yl)benzene_Mechanism 1-phenyl-3-methyl_E-path_I1Bru, GerardGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYP6-311G(D,P)-838.016357168; Eh
Results 441-450 of 501 (Search time: 0.0 seconds).