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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 4x4-3L-3x3-ABAMu, MantingGaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XD; TD-FC6-31G(D,P) GEN-4142.5102036; Eh
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-2022/3x3 3x3-3L_ABCMu, MantingGaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XD6-31G(D) 6-31G(D,P) GEN-3454.25774036; Eh
thumbnail.jpeg30-Jan-2023t7h_mmm_pmm_speArtigas Ruf, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-2536.7100187; Eh
thumbnail.jpeg30-Jan-2023ni_picyne_3_int_2_speArtigas Ruf, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-4045.1206112; Eh
thumbnail.jpeg30-Jan-2023ni_picyne_3_int_4_speArtigas Ruf, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-4045.1381464; Eh
thumbnail.jpeg30-Jan-2023ni_picyne_3_ts_1_speArtigas Ruf, AlbertGaussian; 16; ES64L-G16RevA.03Single point StructureRwB97XDDEF2TZVP-4045.0976951; Eh
Results 51-60 of 115 (Search time: 0.002 seconds).