Structural studies and investigation of NMR shielding tensors in coordination of magnesium hydrate to purine nucleotide 5′-monophosphates (AMP, GMP, IMP)
Yazarlar (5)
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Science And Research Branch, İran
M. A. Seyed Sajadi Islamic Azad University, Science And Research Branch, İran
R. Sayadi Islamic Azad University, Science And Research Branch, İran
M. Kia Islamic Azad University, Science And Research Branch, İran
G. Ghasemi Islamic Azad University, Science And Research Branch, İran
| Makale Türü |
Özgün Makale
(ESCI dergilerinde yayınlanan tam makale)
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| Dergi Adı | Main Group Metal Chemistry | ||
| Dergi ISSN | 0792-1241 Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2005 |
| Cilt / Sayı / Sayfa | 28 / 2 / 71–84 | DOI | 10.1515/MGMC.2005.28.2.71 |
| Makale Linki | http://www.scopus.com/inward/record.url?eid=2-s2.0-24944492957&partnerID=MN8TOARS | ||
| Özet |
| The interaction of magnesium hydrate at the phosphate oxygen atoms of the purine nucleotides (AMP, GMP, IMP) were studied at the Hartree-Fock level Theory. We used LANL2DZ basis set for Mg and 6-31g* basis set for other atoms. The basis set superposition error (BSSE) begins to converge for used method/basis set. NBO calculations were performed to the second-order; perturbative estimates of donor-acceptor (bonding-antibonding) interactions have been done. The gauge-invariant atomic orbital (GIAO) method was employed to calculate isotropic atomic shielding of the nucleotides using HF/6-31g** level. |
| Anahtar Kelimeler |
| Ab initio Calculation | Magnesium Complexes | NMR shielding Tensor | Purine Nucleotide |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 4 |
| Scopus | 8 |