Квантовохімічне дослідження структурних перетворень акридинового оранжoвого в умовах лазерної десорбції/іонізації на поверхні терморозширеного графіту
Density functional theory method with functional B3LYP and 6-31G (d,p) basis set has been used to examine the possible structures of acridine orange fragments resulting from laser irradiation of dye adsorbed on the surface of thermoexfoliated graphite under mass spectrometric experiment. The structu...
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| Datum: | 2014 |
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| Hauptverfasser: | , , , , |
| Format: | Artikel |
| Sprache: | Ukrainian |
| Veröffentlicht: |
Chuiko Institute of Surface Chemistry National Academy of Sciences of Ukraine
2014
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| Schlagworte: | |
| Online Zugang: | https://www.cpts.com.ua/index.php/cpts/article/view/288 |
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| Назва журналу: | Chemistry, Physics and Technology of Surface |
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Chemistry, Physics and Technology of Surface| Zusammenfassung: | Density functional theory method with functional B3LYP and 6-31G (d,p) basis set has been used to examine the possible structures of acridine orange fragments resulting from laser irradiation of dye adsorbed on the surface of thermoexfoliated graphite under mass spectrometric experiment. The structures and thermodynamic parameters of these fragments have been found as well as the order of their formation. |
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