Search Results - "Gulluoglu, M.T."

Study on molecular structure and vibrational spectra of (triphenylphosphoranylidene) acetaldehyde using DFT: A combined experimental and quantum chemical approach by Dereli, Ö., Erdogdu, Y., Gulluoglu, M.T.

“…► The possible conformers have been presented. ► The molecular structure has been presented. ► The FT-IR and FT-Raman spectra have been recorded. ► Vibrational…”
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Vibrational spectral and quantum chemical investigations of tert-butyl-hydroquinone by Dereli, Ö., Erdogdu, Y., Gulluoglu, M.T., Türkkan, E., Özmen, A., Sundaraganesan, N.

“…► Conformational analysis. ► FT-IR and Raman spectra. ► Vibrational assignment using TED. ► TD-DFT calculations. ► Molecular electrostatic potential. The…”
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FT-IR, FT-Raman spectra and scaled quantum mechanical study of 4-amino-1-benzylpiperidine by Chandra, S., Saleem, H., Erdogdu, Y., Subashchandrabose, S., Krishnan, Akhil R., Gulluoglu, M.T.

“…► Potential energy surface scan (PES). ► Total energy distribution (TED). ► NBO analysis. ► Band gap (HOMO–LUMO). ► Mulliken atomic charges. In this work, we…”
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Synthesis, spectroscopic and DFT investigation of dimethyl-2-(5-acetyl-2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(triphenylphosphinylidene)succinate by Vessally, E., Fereyduni, E., Erdogdu, Y., Habibi, A., Eskandari, K., Gulluoglu, M.T.

“…Dimethyl-2-(5-acetyl-2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(triphenylphosphinylidene)succinate has been synthesized and characterized by elemental…”
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DFT, FT-Raman, FT-IR and FT-NMR studies of 4-phenylimidazole by Güllüoğlu, M.T., Erdogdu, Y., Karpagam, J., Sundaraganesan, N., Yurdakul, Ş.

“…The experimental and theoretical vibrational spectra of 4-phenylimidazole (4-PI) were studied. The FT-IR, FT-Raman and FT-NMR spectra of 4-PI molecule was…”
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β-Ga2O3 nanoflakes/p-Si heterojunction self-powered photodiodes by Atilgan, A., Yildiz, A., Harmanci, U., Gulluoglu, M.T., Salimi, K.

“…•β-Ga2O3 nanoflakes/p-Si p-n junction photodiode was fabricated by two-stage hydrothermal deposition method.•β-Ga2O3 nanoflakes/p-Si photodiode showed a…”
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Molecular structure and vibrational spectra of 7-Ethoxycoumarin by density functional method by Karakaş Sarıkaya, E., Dereli, Ö., Erdoğdu, Y., Güllüoğlu, M.T.

“…[Display omitted] In the present study, as a result of detailed conformational search of the 7-Ethoxycoumarin, four different conformers of (7EC) have been…”
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An investigations on the molecular structure, FT-IR, FT-Raman and NMR spectra of 1-(p-tolylsulfonyl) pyrrole by theoretical and experimental approach by Erdogdu, Y., Saglam, S., Gulluoglu, M.T.

“…[Display omitted] •FT-IR, FT-Raman and FT-NMR spectra of 1-(p-tolylsulfonyl) pyrrole molecule are recorded and analyzed.•Theoretical approach to spectra based…”
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Structural conformations and vibrational spectral study of chloroflavone with density functional theoretical simulations by Erdogdu, Y., Unsalan, O., Sajan, D., Gulluoglu, M.T.

“…NIR-FT Raman and FT-IR spectra of 6-chloroflavone were recorded and analyzed. The vibrational wavenumber of the compound have been computed using…”
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FT-IR and Raman Spectroscopy and Computation of 5-Methylfurfural by Erdogdu, Y., Sertbakan, T. R., Güllüoğlu, M. T., Yurdakul, Ş., Güvenir, A.

“…5-Methylfurfural (5MF) was studied by vibrational (IR and Raman) spectroscopy and computational methods (DFT/B3LYP&MP2). FT-IR and FT-Raman spectra in KBr (at…”
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DFT simulation, quantum chemical electronic structure, spectroscopic and structure-activity investigations of 4-acetylpyridine by Atilgan, A., Yurdakul, Ş., Erdogdu, Y., Güllüoğlu, M.T.

“…The spectroscopic (UV–Vis and infrared), structural and some electronic property observations of the 4-acetylpyridine (4-AP) were reported, which are…”
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Electronic [UV–Visible] and vibrational [FT-IR] investigation and NMR spectroscopic analysis of some halogen substituted chromone (6-Fluorochromone, 6-Chlorochromone, 6-Bromochromone) by Erdogdu, Y., Yurdakul, Ş., Badoglu, S., Güllüoğlu, M.T.

“…This work deals with the successful spectroscopic properties (infrared, Nuclear magnetic resonance and UV–Vis) and theoretical calculations of chromone and…”
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Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole by Saglam, S., Disli, A., Erdogdu, Y., Marchewka, M.K., Kanagathara, N., Bay, B., Güllüoğlu, M.T.

“…[Display omitted] •5-(Benzylthio)-1-cylopentyl-1H-tetrazole (5B1C1HT) have been synthesized.•Complete assignment of the vibrational bands was done.•FT-IR, 1H…”
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Vibrational spectroscopic investigation of metal[II] tetracyanonickelate complexes of 4-acetylpyridine and acridine by Yurdakul, Ş., Güllüoǧlu, M.T., Küçükgüldal, D., Taşdelen, M.

“…Infrared spectra of M(4-apy) 2Ni(CN) 4 (M = Cd, Co, Fe or Ni; 4-apy = 4-acetylpyridine) and IR and Raman spectra of M(acr) 2Ni(CN) 4 (M = Mn, Co, Zn, Ni, Cu,…”
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