Browsing College of Sciences and Mathematics by Author "J.V Ortiz, jvo0001@auburn.edu"

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Electron propagator and coupled-cluster calculations on the photoelectron spectra of thiouracil and dithiouracil anions

Dolgounitcheava, O.; Zakrzewski, V. G.; Ortiz, J. V. (2021-01-26)

Electron affinities, vertical electron detachment energies, and isomerization energies of 4-thiouracil, 2-thiouracil, and 2,4-dithiouracil and their valence anions have been calculated with ab initio electron propagator ...

Interpretation of the photoelectron spectra of superalkali species: Li3O and Li3O-

Zein, S.; Ortiz, J. V. (2020-10-02)

The present paper deals with the interpretation of the photoelectron spectrum of the Li3O-. After several failed attempts to attribute all of the observed peaks in the experimental spectrum to anionic species, neutral ...