| Autor: |
Teterin, Yu. A., Ryzhkov, M. V., Putkov, A. E., Maslakov, K. I., Teterin, A. Yu., Ivanov, K. E., Kalmykov, S. N., Petrov, V. G. |
| Předmět: |
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| Zdroj: |
Journal of Structural Chemistry; Sep2024, Vol. 65 Issue 9, p1794-1804, 11p |
| Abstrakt: |
The electronic structure of NoO2 and the valence-band X-ray photoelectron spectrum (XPS) in the energy range from 0 eV to ~40 eV are calculated by the relativistic discrete variation method. Significant covalency effects are observed in NoO2, which are due to a considerable overlap of not only No 6d AO but also No 6p and No 5f AOs with oxygen orbitals. The MO histogram and scheme are derived, which enable the comprehension of features of the chemical bond nature and the structure of the XPS spectrum of valence electrons in NoO2. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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