Browsing Chemistry & Biochemistry by Author "Dolgounitcheava, O."

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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 ...