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Browsing College of Sciences and Mathematics by Author "Martinez, Ana"
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Electron binding energies and Dyson orbitals of Al(5)O(m)(-) (m=3,4,5) and Al(5)O(5)H(2)(-)
Guevara-Garcia, Alfredo; Martinez, Ana; Ortiz, J.V. (2021-01-26)
Photoelectron spectra of Al5Om
− m=3–5 and of the anion produced by the dissociative adsorption
of a water molecule by Al5O4
− are interpreted with density-functional geometry optimizations and
electron-propagator ...
Sequential addition of H2O, CH3OH, and NH3 to Al3O3-: A theoretical study
Guevara-Garcia, Alfredo; Martinez, Ana; Ortiz, J.V. (2021-01-26)
Photoelectron spectra of two species, Al3O3(H2O)(2)(-) and Al3O3(CH3OH)(2)(-), that are produced by the addition of two water or methanol molecules to Al3O3- are interpreted with density-functional geometry optimizations ...