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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I1Mu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2399.78513476; Eh
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I21aMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1438.37852105; Eh
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I41aMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1029.26796225; Eh
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I31aMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1438.37916726; Eh
thumbnail.jpeg16-Mar-2023/NaB-TMP-no-ansiole Na-PMDETA-TMP-B-NHscan-ts-disp-bMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2462.20568345; Eh
thumbnail.jpeg16-Mar-2023/NaB-TMP-no-ansiole NaB-sodiation_prod-XRDMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2053.13366594; Eh
thumbnail.jpeg16-Mar-2023/LiB-TMP-no-ansiole B-3CH2SiMe3_XRDMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) GEN-1370.49355884; Eh
thumbnail.jpeg16-Mar-2023/LiB-TMP-no-ansiole Li-PMDETA-TMP-B-NHCH-frozen-ts-disp-bMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2307.46619382; Eh
thumbnail.jpeg16-Mar-2023/NaB-TMP-no-ansiole Na-PMDETA-TMP-dimer-bMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2183.43113598; Eh
thumbnail.jpeg16-Mar-2023/NaB-TMP-no-ansiole I1NaMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31+G(D,P) GEN-1091.69637279; Eh
Results 1-10 of 22 (Search time: 0.002 seconds).