Yazar "Tursun, Mahir" için listeleme
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4-Mercaptophenylboronic acid: Conformation, FT-IR, Raman, OH stretching and theoretical studies
Parlak, Cemal; Ramasami, Ponnadurai; Tursun, Mahir; Rhyman, Lydia; Kaya, Mehmet Fatih; Atar, Necip; Şenyel, Mustafa (Pergamon-Elsevier Science LTD, 2015)4-Mercaptophenylboronic acid (4-mpba, C6H7BO2S) was investigated experimentally by vibrational spectroscopy. The molecular structure and spectroscopic parameters were studied by computational methods. The molecular dimer ... -
Conformation and NH stretching of 1,1-dihalogenoheptan-1-amines[CH3(CH2)(5)CX2NH2; X = F, Cl or Br]: Halogen and solvent effects
Tursun, Mahir; Rhyman, Lydia; Parlak, Cemal; Ramasami, Ponnadurai; Şenyel, Mustafa (Pergamon-Elsevier Science LTD, 2015)The effects of halogen and solvent on the conformation and NH stretching of 1,1-dihalogeno-heptan-1amines [CH3(CH2)(5)CX2NH2: X = F, Cl or Br] were investigated using the density functional theory method. The functional ... -
Crystallographic, vibrational and DFT studies of 1-(2-hydroxy-4,5-dimethylphenyl)ethanone
Kumar, Chandraju Sadolalu Chidan; Parlak, Cemal; Fun, Hoong Kun; Tursun, Mahir; Bilge, Metin; Chandraju, Siddegowda; Şenyel, Mustafa (Pergamon-Elsevier Science LTD, 2015)Molecular structure and properties of 1-(2-hydroxy-4,5-dimethylphenyl)ethanone were experimentally investigated by X-ray diffraction technique and vibrational spectroscopy. Experimental results on the molecular structure ... -
Molecular, vibrational and electronic structure of 4-bromo-2-halogenobenzaldehydes: Halogen and solvent effects
Fernandez, David; Parlak, Cemal; Bilge, Metin; Kaya, Mehmet Fatih; Tursun, Mahir; Keşan, Gürkan; Şenyel, Mustafa (Walter De Gruyter GMBH, 2017)The halogen and solvent effects on the structure of 4-bromo-2-halogenobenzaldehydes [C7H4BrXO; X = F (BFB), Cl (BCB) or Br (BBB)] were investigated by the density functional theory (DFT) and time-dependent density functional ... -
Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus
Rhyman, Lydia; Tursun, Mahir; Abdallah, Hassan H.; Choong, Yee Siew; Parlak, Cemal; Kharkar, Prashant; Ramasami, Ponnadurai (Walter De Gruyter GMBH, 2019)Density functional theory (DFT) method was used to compute the structural and vibrational parameters of favipiravir (T-705) in the gas phase. The functional used was B3LYP in conjuction with the 6-311++G(d,p) basis set. ... -
Vibrational spectroscopic investigation and conformational analysis of 1-heptylamine: A comparative density functional study
Tursun, Mahir; Keşan, Gürkan; Parlak, Cemal; Şenyel, Mustafa (Pergamon-Elsevier Science LTD, 2013)FT-IR and Raman spectra of 1-heptylamine (1-ha) have been recorded in the region of 4000-10 cm(-1) and 4000-50 cm(-1), respectively. The conformational analysis, optimized geometric parameters, normal mode frequencies and ... -
Vibrational spectroscopic investigation of 1-pyrrolidino-1-cyclohexene: A comparative density functional study
Kaya, Mehmet Fatih; Parlak, Cemal; Keşan, Gürkan; Alver, Özgür; Tursun, Mahir (Pergamon-Elsevier Science LTD, 2013)Infrared and Raman spectra of 1-pyrrolidino-1-cyclohexene (1 pych) have experimentally been reported in the region of 4000-100 cm(-1). The conformational analysis, optimized geometric parameters, normal mode frequencies ...
