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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Feb-2022/silane_reactivity TSfOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUB3LYPSDD 6-31+G(D,P) 6-31G(D,P) GEN-1796.11762471; Eh
Login required21-Feb-2022/silane_reactivity TSeOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUB3LYPSDD 6-31+G(D,P) 6-31G(D,P) GEN-1720.85851205; Eh
Login required21-Feb-2022/silane_reactivity TScOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUB3LYPSDD 6-31+G(D,P) 6-31G(D,P) GEN-1871.37847893; Eh
Login required21-Feb-2022/silane_reactivity TSaOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUB3LYPSDD 6-31+G(D,P) 6-31G(D,P) GEN-1642.20206882; Eh
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
Login required27-Sep-2021SCO_B3LYP_S7_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-5117.50524376; Eh
Login required27-Sep-2021SCO_B3LYP_S6_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-3114.14175826; Eh
Login required27-Sep-2021SCO_B3LYP_S18_LS_OLDVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-2832.23878577; Eh
Login required27-Sep-2021SCO_B3LYP_S16_HSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-2642.48468306; Eh
Login required27-Sep-2021SCO_B3LYP_S16_LSVidal, DanielGaussian; 16; ES64L-G16RevB.01Single point MinimumUB3LYPDEF2TZVP-2642.48574547; Eh
Results 1-10 of 11 (Search time: 0.003 seconds).