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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Feb-2022/silane_reactivity TSbOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUB3LYPSDD 6-31+G(D,P) 6-31G(D,P) GEN-1756.79159367; Eh
thumbnail.jpeg3-Sep-2021PPantSCOMefullSR_HF_6-31Gd_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point MinimumRHF6-31G(D)-4302.39791516; Eh
thumbnail.jpeg3-Sep-2021PPantSCOMefullRR_HF_6-31Gd_ener_freqVan der Kamp, MarcGaussian; 09; ES64L-G09RevD.01Single point MinimumRHF6-31G(D)-4302.41455636; Eh
thumbnail.jpeg30-May-2022AcOHPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-228.914750822; Eh
thumbnail.jpeg30-May-2022ArenePrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-479.045285911; Eh
thumbnail.jpeg30-May-2022Side_ProductPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-379.624379165; Eh
thumbnail.jpeg30-May-2022TS1Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-1207.71800786; Eh
thumbnail.jpeg30-May-2022OlefinPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-496.256615874; Eh
thumbnail.jpeg30-May-2022ProductPrasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-595.687909087; Eh
thumbnail.jpeg30-May-2022TS5Prasad, SupreethGaussian; 16; ES64L-G16RevA.03Single point MinimumRB3LYPDEF2SVP-1096.62195861; Eh
Results 21-30 of 72 (Search time: 0.002 seconds).