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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg23-Sep-2022/OATS ptBu-pNMe2Jover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G* SDD GEN-1534.99724140; Eh
thumbnail.jpeg23-Sep-2022/OATS pNO2-pOHJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G* SDD GEN-1523.48425348; Eh
thumbnail.jpeg23-Sep-2022/OATS pCOMe-pCNJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G* SDD GEN-1488.66008802; Eh
thumbnail.jpeg23-Sep-2022/OATS pMe-pFJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G* SDD GEN-1382.30343051; Eh
thumbnail.jpeg23-Sep-2022/OATS pOH-mNH2Jover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G* SDD GEN-1374.33278704; Eh
thumbnail.jpeg23-Sep-2022/OATS pOH-pCOMeJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G* SDD GEN-1471.63107204; Eh
thumbnail.jpeg23-Sep-2022/OATS pCOMe-pHJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G* SDD GEN-1396.41128650; Eh
thumbnail.jpeg23-Sep-2022/OATS pOH-pCNJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G* SDD GEN-1411.22138230; Eh
thumbnail.jpeg23-Sep-2022/OATS pMe-pNH2Jover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G* SDD GEN-1338.43157532; Eh
thumbnail.jpeg23-Sep-2022/OATS pMe-pOHJover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRB3LYP6-31G* SDD GEN-1358.29200590; Eh
Results 121-130 of 929 (Search time: 0.001 seconds).