Yazarlar (1) |
![]() Kastamonu Üniversitesi, Türkiye |
Özet |
Quantum chemical calculations of the electronic structure of tamoxifen molecule interacting with an open end of a single-walled carbon nanotube (SWCNT) were carried out and the effects of solvents (water, methanol, DMSO, acetone) on the 1H, 13C, 15N, and 17O NMR parameters were studied by the GIAO-HF/STO-3G, GIAO-HF/3-21G, and GIAO/B1LYP/3-21G methods using the GAUSSIAN-98 program. The largest σ |
Anahtar Kelimeler |
density functional theory | drug delivery | Hartree-Fock method | NMR spectra | SCRF model | single-walled carbon nanotubes | solvent effect | tamoxifen |
Makale Türü | Özgün Makale |
Makale Alt Türü | SCOPUS dergilerinde yayımlanan tam makale |
Dergi Adı | Russian Chemical Bulletin |
Dergi ISSN | 1066-5285 Wos Dergi Scopus Dergi |
Dergi Tarandığı Indeksler | SCI-Expanded |
Makale Dili | İngilizce |
Basım Tarihi | 12-2012 |
Cilt No | 61 |
Sayı | 12 |
Sayfalar | 2212 / 2217 |
Doi Numarası | 10.1007/s11172-012-0314-0 |
Makale Linki | http://dx.doi.org/10.1007/s11172-012-0314-0 |