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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Jun-2022/td_DFT 4x4-3L-ABAMu, MantingGaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XD; TD-FC6-31G(D,P) GEN-5518.9928939; Eh
Login required8-Jun-2022/td_DFT 4x4-4L-ABABMu, MantingGaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XD; TD-FC6-31G(D,P) GEN-7358.6949552; Eh
Login required8-Jun-2022/td_DFT 3x3-3L-ABAMu, MantingGaussian; 09; EM64L-G09RevA.02Single point StructureRTD-wB97XD-FC6-31G(D,P) GEN-3454.259153; Eh
Login required8-Jun-2022/td_DFT 4x4-2L-ABMu, MantingGaussian; 09; EM64L-G09RevA.02Single point StructureRTD-wB97XD-FC6-31G(D,P) GEN-3679.2920683; Eh
Login required8-Jun-2022/td_DFT 3x3-2L-ABMu, MantingGaussian; 09; EM64L-G09RevA.02Single point StructureRTD-wB97XD-FC6-31G(D,P) GEN-2302.8179986; Eh
Login required8-Jun-2022/td_DFT 3x3-1LMu, MantingGaussian; 09; EM64L-G09RevA.02Single point StructureRTD-wB97XD-FC6-31G(D,P) GEN-1151.3796011; Eh
Login required8-Jun-2022/td_DFT 4x4-1LMu, MantingGaussian; 09; EM64L-G09RevA.02Single point StructureRTD-wB97XD-FC6-31G(D,P) GEN-1839.5960405; Eh
Login required19-Nov-2023/TBHP/12-hydride-shift HbMu, MantingGaussian; 16; ES64L-G16RevB.01Single point Structure-SDD 6-31G(D,P) 6-31+G(D,P)-1392.25369963; Eh
thumbnail.jpeg5-May-2023/FH NaCo-Int-HMDS-2FHMu, MantingGaussian; 16; ES64L-G16RevC.01Single point Structure-LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D)-
Login required23-Dec-2023/CoTMP2_pathways/no-explicit-THF I3CoMu, MantingGaussian; 09; ES64L-G09RevE.01Single point Structure---
Results 21-30 of 33 (Search time: 0.002 seconds).