Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
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 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
Results 111-115 of 115 (Search time: 0.003 seconds).