NMR Shielding and thermodynamic density functional theory (DFT) studies of solvent effect on B10N11H7(Ala)2 Nano Cone
Yazarlar (4)
| Makale Türü |
Özgün Makale
(SCOPUS dergilerinde yayınlanan tam makale)
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| Dergi Adı | AFRICAN JOURNAL OF MICROBIOLOGY RESEARCH | ||
| Dergi ISSN | 1996-0808 Dergi Bilgileri (2012) | ||
| Dergi Tarandığı Indeksler | |||
| Makale Dili | İngilizce | Basım Tarihi | 05-2012 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 30-05-2012 |
| Cilt / Sayı / Sayfa | 6 / 20 / 4247–4255 | DOI | 10.5897/AJMR11.639 |
| Makale Linki | https://academicjournals.org/article/article1380712836_Monajjemi%20et%20al.pdf | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| Özet |
| B3LYP/3-21G d. functional theory (DFT) are carried out on the structure and stability of B10N11H7(Ala)2 in bulk and different solvent medium, using Gaussian 98 package of program. NMR parameters and thermodn. properties were calcd. to obtain stability and solvent effect. It was found that computationally efficient solvent modeling is possible to fi... |
| Anahtar Kelimeler |
| Solvent effect | density functional theory (DFT) | NMR parameters | B10N11H7(Ala)(2) | nanocone | thermodynamic properties |
BM Sürdürülebilir Kalkınma Amaçları
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| Google Scholar | 3 |