Yazar "Kaya, Mehmet Fatih" için listeleme
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Infrared, Raman and density functional characterization and structural study of 2-Nitro-2-phenyl-propane-1,3-diol
Kaya, Mehmet Fatih; Bağlayan, Özge; Kaya, Esma Güneş; Alver, Özgür (Elsevier Science Bv, 2017)Nitro compound and nitro derivatives are industrially important to produce rubber and agricultural chemicals. In this study, one of the promising derivatives of nitro compound 2-Nitro-2-phenyl-propane-1,3-diol (2NPP) is ... -
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 (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 ... -
Structural characterization, solvent effects on nuclear magnetic shielding tensors, experimental and theoretical DFT studies on the vibrational and NMR spectra of 3-(acrylamido)phenylboronic acid
Alver, Özgür; Kaya, Mehmet Fatih; Dikmen, G. (Elsevier, 2015)Structural elucidation of 3-(acrylamido)phenylboronic acid (C9H10BNO3) was carried out with 1H, 13C and HETCOR NMR techniques. Solvent effects on nuclear magnetic shielding tensors were examined with deuterated dimethyl ... -
Theoretical insight of alpha amino acid phenylalanine adsorption on pristine and decorated fullerenes
Kaya, Mehmet Fatih; Alver, Özgür; Parlak, Cemal; Ramasami, Ponnadurai (Walter De Gruyter Gmbh, 2019)Fullerenes, with their extensive application potentials, have been receiving attention for their possible usage as drug delivery vehicles and devices for sensor technologies. In this work, the optimized molecular geometries, ... -
Vibrational spectra, DFT calculations, conformational stabilities and assignments of the fundamentals of the 1-butylpiperazine
Bağlayan, Özge; Kaya, Mehmet Fatih; Güneş, Esma; Senyel, Mustafa (Elsevier Science Bv, 2016)FT-IR and FT-Raman spectra of 1-butylpiperazine (1bpa) were experimentally recorded in the region of 4000-10 cm(-1) and 4000-100 cm(-1), respectively. The optimized geometric parameters, conformational equilibria, normal ...
