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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2019Deprotonation_with_tertbutyl-methylphenolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Single point StructureRM066-31+G**-910.376263463; Eh
thumbnail.jpeg19-Mar-2021NaFe-1TMP-Toluene_TS2Mu, MantingGaussian; 09; ES64L-G09RevE.01Single point StructureUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2983.73262462; Eh
thumbnail.jpeg19-Mar-2021NaFe-1TMP-partial-diss_TS1Mu, MantingGaussian; 09; ES64L-G09RevE.01Single point StructureUwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-2712.22227836; Eh
thumbnail.jpeg19-Mar-2021Na2Fe2-1TMP+2TMP-3HMDSMu, MantingGaussian; 09; ES64L-G09RevE.01Single point Structure-LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D)-4494.82088898; Eh
thumbnail.jpeg4-Jun-201817FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-31+G**-2293.82125993; Eh
thumbnail.jpeg4-Jun-2018TS08-09FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-31+G**-2007.56019224; Eh
thumbnail.jpeg4-Jun-2018TS10-11FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-31+G**-802.558120418; Eh
thumbnail.jpeg4-Jun-201810FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-31+G**-802.593075963; Eh
thumbnail.jpeg18-Mar-2019Adduct_TBDArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Single point StructureRM066-31+G**-2044.23602411; Eh
Login required12-May-2022N2-dimer-opt-benzene-nmrPeñas-Defrutos, Marconi N.Gaussian; 09; ES64L-G09RevE.01Single point StructureRwB97XDLANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN-4428.4128671; Eh
Results 1-10 of 221 (Search time: 0.003 seconds).