Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
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
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I4Mu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1950.67388949; Eh
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath 2Mu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2297.37633348; Eh
thumbnail.jpeg16-Mar-2023/Anisole-lowest-energypath I2Mu, MantingGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2399.78311590; Eh
Login required16-Mar-2023/LiB-TMP-no-ansiole LiB-lithation_prodMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-1898.39837875; Eh
Login required16-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
Login required8-Jun-2022/4x4 4x4-3L_ABAMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D) 6-31G(D,P) GEN-5518.99289394; Eh
Login required8-Jun-2022/4x4 4x4-4L_ABABMu, MantingGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumRwB97XD6-31G(D) 6-31G(D,P) GEN-7358.69495517; Eh
Login required8-Jun-2022/3x3 3x3-2L_ABMu, MantingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRwB97XD6-31G(D) 6-31G(D,P) GEN-2302.81799857; Eh
Login required8-Jun-2022/4x4 4x4-2L_ABMu, MantingGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumRwB97XD6-31G(D) 6-31G(D,P) GEN-3679.29206825; Eh
Results 31-40 of 196 (Search time: 0.001 seconds).