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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2022/3x3 3x3-3L_ABCMu, MantingGaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XD6-31G(D) 6-31G(D,P) GEN-3454.25774036; 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
thumbnail.jpeg1-Jul-2022/Complexes 2cOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-31G** 6-31+G* GEN-1539.98087963; Eh
thumbnail.jpeg1-Jul-2022/Complexes Li(THF)4Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-31G** 6-31+G* GEN-936.951678004; Eh
thumbnail.jpeg1-Jul-2022/Complexes 2d-1Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureRM062X6-31G** 6-31+G* GEN-1155.22703159; Eh
thumbnail.jpeg5-Jun-2022IM1-dash-freqPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1664.74979753; Eh
thumbnail.jpeg5-Jun-2022TS2Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2SVP-1875.96989634; Eh
thumbnail.jpeg5-Jun-2022TS3-dash-ircPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point Structure-DEF2SVP-3727.58687437; Eh
Results 3641-3650 of 8147 (Search time: 0.006 seconds).