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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Aug-2022/monometallic_sodiation/TS Na2-ben-noHMDSHMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2157.69392942; Eh
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I51aMu, MantingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2399.79124029; Eh
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I61aMu, MantingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2399.81939553; Eh
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 1I4ZMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1618.21864992; Eh
Login required8-Apr-2024/figureS1 1I3ZMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1618.22935741; Eh
Login required8-Apr-2024/figureS1 1I1ZMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1618.21704157; Eh
Login required8-Apr-2024/figureS1 1IZMu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1209.13137257; 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
Results 111-120 of 138 (Search time: 0.001 seconds).