Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60
In this research at the Adenine tautomers and their fullerene derivatives were optimized. NBO calculations and NMR for the tautomers and their Fullerene derivatives were carried out at the B3lyp/6-31G*quantum chemistry level. The core and the valence electrons of atoms were compared. Other cases exa...
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| Format: | Article |
| Language: | English |
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Iranian Chemical Science and Technologies Association
2016-09-01
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| Series: | International Journal of New Chemistry |
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| Online Access: | http://www.ijnc.ir/article_34986.html |
| _version_ | 1811337393350901760 |
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| author | Saeedeh Moghadasi |
| author_facet | Saeedeh Moghadasi |
| author_sort | Saeedeh Moghadasi |
| collection | DOAJ |
| description | In this research at the Adenine tautomers and their fullerene derivatives were optimized. NBO calculations and NMR for the tautomers and their Fullerene derivatives were carried out at the B3lyp/6-31G*quantum chemistry level. The core and the valence electrons of atoms were compared. Other cases examined in this study, resonance energy, chemical potential (µ ), chemical hardness (η) , Energy Gap, Chemical Hardness, Chemical Potential, Dipole moment parameters between Adenine tautomers and their fullerene derivatives were calculated .This organic base as a chemical component of DNA and RNA plays an important role in our body. In this study of fullerenes, we used a nano carrier. The data in tables and graphs and shapes were compared and discussed. |
| first_indexed | 2024-04-13T17:54:16Z |
| format | Article |
| id | doaj.art-7133ca369680462f842e28de46b47f05 |
| institution | Directory Open Access Journal |
| issn | 2645-7237 2383-188X |
| language | English |
| last_indexed | 2024-04-13T17:54:16Z |
| publishDate | 2016-09-01 |
| publisher | Iranian Chemical Science and Technologies Association |
| record_format | Article |
| series | International Journal of New Chemistry |
| spelling | doaj.art-7133ca369680462f842e28de46b47f052022-12-22T02:36:35ZengIranian Chemical Science and Technologies AssociationInternational Journal of New Chemistry2645-72372383-188X2016-09-0133697310.22034/ijnc.2016.3498634986Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60Saeedeh Moghadasi 0Department of Education and training, District One, Shahr-E-Rey, Tehran, Iran. In this research at the Adenine tautomers and their fullerene derivatives were optimized. NBO calculations and NMR for the tautomers and their Fullerene derivatives were carried out at the B3lyp/6-31G*quantum chemistry level. The core and the valence electrons of atoms were compared. Other cases examined in this study, resonance energy, chemical potential (µ ), chemical hardness (η) , Energy Gap, Chemical Hardness, Chemical Potential, Dipole moment parameters between Adenine tautomers and their fullerene derivatives were calculated .This organic base as a chemical component of DNA and RNA plays an important role in our body. In this study of fullerenes, we used a nano carrier. The data in tables and graphs and shapes were compared and discussed.http://www.ijnc.ir/article_34986.htmladenine ; fullerenes ; nbo ; nmr ; ir |
| spellingShingle | Saeedeh Moghadasi Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60 International Journal of New Chemistry adenine ; fullerenes ; nbo ; nmr ; ir |
| title | Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60 |
| title_full | Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60 |
| title_fullStr | Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60 |
| title_full_unstemmed | Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60 |
| title_short | Theoretical Study of the Properties of Adenine Amino Acid Tetomers with C60 |
| title_sort | theoretical study of the properties of adenine amino acid tetomers with c60 |
| topic | adenine ; fullerenes ; nbo ; nmr ; ir |
| url | http://www.ijnc.ir/article_34986.html |
| work_keys_str_mv | AT saeedehmoghadasi theoreticalstudyofthepropertiesofadenineaminoacidtetomerswithc60 |