Theoretical analysis NBO NPA Mulliken Population Method and molecular orbital studies hardness chemical potential electrophility and Fukui function analysis of E 2 4 hydroxy 2 methylphenylimino methyl 3 methoxyphenol
Yazarlar (3)
Zeynep Demircioʇlu
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Orhan Büyükgüngör
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2015) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 07-2015 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-07-2015 |
| Cilt / Sayı / Sayfa | 1091 / 1 / 183–195 | DOI | 10.1016/j.molstruc.2015.02.076 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286015001854 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The molecular structure and spectroscopic properties of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenol, were characterized by X-ray diffraction, FT-IR and UV-Vis spectroscopy. All of theoretical calculations and optimized geometric parameters have been calculated by using density functional theory (DFT) with hybrid method B3LYP by 6-31G(d,p) basis set. The title compound of C |
| Anahtar Kelimeler |
| Fukui function analysis | Mulliken electronegativity | Natural bond orbital analysis (NBO) | Natural population analysis (NPA) |
Science Direct
Theoretical analysis NBO NPA Mulliken Population Method and molecular orbital studies hardness chemical potential electrophility and Fukui function analysis of E 2 4 hydroxy 2 methylphenylimino methyl 3 methoxyphenol
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 304 |
| Scopus | 315 |