Abstract
The nitrogen K-shell X-ray absorption spectra of the purine bases present in nucleic acids, adenine and guanine, were analyzed by using ab initio Hartree-Fock static exchange and restricted-active-space self-consistent-field calculations. A variety of derivative molecules were calculated to investigate the energetic shifts due to environmental effects on the nitrogen atoms. Shake-up excitations were also addressed.
| Original language | English |
|---|---|
| Pages (from-to) | 1003-1005 |
| Number of pages | 3 |
| Journal | Journal of Synchrotron Radiation |
| Volume | 8 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - Mar 1 2001 |
| Externally published | Yes |
All Science Journal Classification (ASJC) codes
- Radiation
- Nuclear and High Energy Physics
- Instrumentation
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Mochizuki, Y., Koide, H., Imamura, T., & Takemiya, H. (2001). HF-STEX and RASSCF calculations on nitrogen K-shell X-ray absorption of purine base and its derivative. Journal of Synchrotron Radiation, 8(2), 1003-1005. https://doi.org/10.1107/S0909049500017696