Spectroscopic characterization, DFT calculations, and microbiological activity of 5-iodoindole
Yazarlar (3)
Ceyhun Küçük Gazi Üniversitesi, Türkiye
Senay Yurdakul Gazi Üniversitesi
Prof. Dr. Belgin ERDEM Kırşehir Ahi Evran Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Molecular Structure (Q2)
Dergi ISSN 0022-2860 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 01-2022
Kabul Tarihi 12-04-2026 Yayınlanma Tarihi
Cilt / Sayı / Sayfa 1252 / 1 / 132125–0 DOI 10.1016/j.molstruc.2021.132125
Makale Linki http://dx.doi.org/10.1016/j.molstruc.2021.132125
Özet
The structural, vibrational, thermodynamic, electronic, and nonlinear optical properties of 5-iodoindole were obtained using spectral methods and density functional theory calculations. Theoretical calculations were performed by the Becke-3-Lee-Yang-Parr (B3LYP) functional using DGDZVP, LANL2DZ, and 6-311++G(d,p) with DGDZVP (mixed type) basis sets...
Anahtar Kelimeler
5-iodoindole | DFT | Electronic properties | Vibrational spectra