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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath 1Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2399.83892116; Eh
Login required8-Apr-2024/figureS1 1TS2ZnoHTMPMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1735.61509088; Eh
Login required8-Apr-2024/figureS2 12I1EMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1515.75327141; Eh
Login required8-Apr-2024/figureS2 12I4EMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1515.75438261; Eh
Login required8-Apr-2024/figureS2 12I3EMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1515.75764311; Eh
Login required8-Apr-2024/figureS2 12I2EMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1515.75250574; Eh
Login required8-Apr-2024/figureS2 12IEMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1106.64514147; Eh
Login required8-Apr-2024/figureS2 12TS2EMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1515.73713441; Eh
Login required8-Apr-2024/figureS2 12TS1EMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1515.73525617; Eh
Login required8-Apr-2024/figureS2 12TS2EnoHTMPMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1530.68352648; Eh
Results 211-220 of 250 (Search time: 0.002 seconds).