Yazar "Keşan, Gürkan" için listeleme
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Conformational and electronic properties of N-methacryloyl-(L)-glutamic acid
Parlak, Cemal; Keşan, Gürkan; Kazancı, Nadide; Rhyman, Lydia; Ramasami, Ponnadurai; Alver, Özgür; Akgol, Sinan (Taylor & Francis LTD, 2017)Conformers of N-methacryloyl-(L)-glutamic acid (MAGA, C9H13NO5) in the gas phase, benzene or methanol environment were searched by the density functional theory (DFT) and time-dependent DFT. Selected conformational isomers ... -
DFT, FT-IR and Raman investigations of 1-pyrrolidino-1-cyclopentene
Keşan, Gürkan; Kaya, Mehmet Fatih; Bilge, Metin; Alver, Özgür; Parlak, Cemal (Pergamon-Elsevier Science LTD, 2013)FT-IR and Raman spectra of 1-pyrrolidino-1-cyclopentene (1py1cp) were experimentally reported in the region of 4000-10 cm(-1) and 4000-100 cm(-1), respectively. The optimized geometric parameters, normal mode frequencies ... -
DFT, FT-Raman, and FT-IR investigations of 1-cyclopropylpiperazine
Keşan, Gürkan; Alver, Özgür; Bilge, Metin; Parlak, Cemal (Maik Nauka/Interperiodica/Springer, 2013)FT-IR and FT-Raman spectra of 1-cyclopropylpiperazine (1cppp) are experimentally examined in the range 4000-200 cm(-1). The optimized geometric parameters, conformational equilibria, normal mode frequencies and corresponding ... -
FT-IR and Raman spectroscopic and quantum chemical investigations of some metal halide complexes of 1-phenylpiperazine
Keşan, Gürkan; Bağlayan, Özge; Parlak, Cemal; Alver, Özgür; Şenyel, Mustafa (Pergamon-Elsevier Science LTD, 2012)New metal halide complexes in the form of M(pp)(2)Cl-2 (where pp = 1-phenylpiperazine and M = Pd or Hg) have been prepared for the first time and their FT-IR and FT-Raman spectra are reported in the region of 4000-10 cm(-1) ... -
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 ... -
Vibrational investigation of 1-cyclopentylpiperazine: A combined experimental and theoretical study
Bağlayan, Özge; Keşan, Gürkan; Parlak, Cemal; Alver, Özgür; Şenyel, Mustafa (Science Press, 2014)FT-IR and Raman spectra of 1-cyclopentylpiperazine (1cppp) have been experimentally examined in the region of 4000-200 cm(-1). The optimized geometric parameters, conformational equilibria, normal mode frequencies and ... -
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 ...
