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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required13-Jun-2022/Electronic_structure/DFs COF-Co_quartet_B3LYPOrtuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUB3LYPDEF2TZVP DEF2SVP GEN-2528.85785082; Eh
thumbnail.jpeg21-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
thumbnail.jpeg21-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
thumbnail.jpeg21-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.jpeg21-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
thumbnail.jpeg21-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
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