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A theoretical and experimental study of the near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine (Articolo in rivista)
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- A theoretical and experimental study of the near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine (Articolo in rivista) (literal)
- Anno
- 2008-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1016/j.chemphys.2007.09.021 (literal)
- Alternative label
Plekan, O; Feyer, V; Richter, R; Coreno, M; de Simone, M; Prince, KC; Trofimov, AB; Gromov, EV; Zaytseva, IL; Schirmer, J (2008)
A theoretical and experimental study of the near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine
in Chemical physics (Print)
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- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Plekan, O; Feyer, V; Richter, R; Coreno, M; de Simone, M; Prince, KC; Trofimov, AB; Gromov, EV; Zaytseva, IL; Schirmer, J (literal)
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- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- \"[Plekan, O.; Richter, R.; Prince, K. C.] Sincrotrone Trieste, I-34012 Trieste, Italy; [Feyer, V.; Coreno, M.] CNR IMIP, I-00016 Rome, Italy; [de Simone, M.; Prince, K. C.] INFM CNR, Lab Nazl TASC, I-34012 Trieste, Italy; [Trofimov, A. B.; Gromov, E. V.; Zaytseva, I. L.] Irkutsk State Univ, Lab Quantum Chem, Irkutsk 664003, Russia; [Gromov, E. V.; Schirmer, J.] Univ Heidelberg, Inst Phys Chem, D-69120 Heidelberg, Germany (literal)
- Titolo
- A theoretical and experimental study of the near edge X-ray absorption fine structure (NEXAFS) and X-ray photoelectron spectra (XPS) of nucleobases: Thymine and adenine (literal)
- Abstract
- The core level electron excitation and ionization spectra of thymine and adenine have been investigated by photoabsorption and photoemission spectroscopy, and the results interpreted by means of ab initio calculations using the second-order algebraic-diagrammatic construction (ADC(2)) method for the polarization propagator and the fourth-order ADC method (ADC(4)) for the one-particle Green's function. The photoabsorption spectra are dominated by transitions from core levels to unoccupied pi states, but also show clear structures due to Rydberg transitions. The calculated spectra are in good agreement with the experimental results, and many of the observed structures are assigned. (C) 2007 Elsevier B.V. All rights reserved. (literal)
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