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Global Reaktiflik Parametreleri ve Bazı Spektral Sonuçlarla Polipropilenin Zincir Uzunluğuna Bağlı Kimyasal Reaktifliği

Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi, 2018-05, Vol.13 (1), p.19-27

2018

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Quantum chemical computational studies on 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2011-03, Vol.78 (3), p.1201-1211

2011

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Spectroscopic Investigations and DFT Calculations on 3-(Diacetylamino)-2-ethyl-3H-quinazolin-4-one

Journal of Spectroscopy, 2016-01, Vol.2016 (2016), p.1-15

2016

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Triafulvalen, Pentafulvalen ve Heptafulvalenin Katyon ve Anyon Radikallerinin EPR Aşırı İnce-yapı Yapıları: Bir Teorik Çalışma

Süleyman Demirel Üniversitesi Fen-Edebiyat Fakültesi Fen Dergisi, 2022-05, Vol.17 (1), p.138-145

2022

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Δg: The new aromaticity index based on g-factor calculation applied for polycyclic benzene rings

Chemical physics letters, 2015-02, Vol.621, p.5-11

2015

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Density Functional Theory Study on Conformers of Benzoylcholine Chloride

Journal of spectroscopy (Hindawi), 2013-01, Vol.2013 (2013), p.1-10

2013

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CTED: the new aromaticity index based on corrected total electron density at bond critical points

Journal of physical organic chemistry, 2014-05, Vol.27 (5), p.380-386

2014

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Synthesis, spectrophotometric and DFT studies of new Triazole Schiff bases as selective naked-eye sensors for acetate anion

Supramolecular chemistry, 2020-10, Vol.32 (10), p.519-526

2020

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Effect of external electric field on C–X ··· π halogen bonds

Journal of molecular modeling, 2019-03, Vol.25 (3), p.57-17, Article 57

2019

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Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2013-04, Vol.107, p.248-255

2013

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A research on structural vibrational, surface characterization of 2-methyl-3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4H-pyrido[1,2-a]pyrimidin-4-one hydrate: SCXRD, FT-IR, MEP, Hirshfeld and molecular docking studies

Journal of molecular structure, 2021-07, Vol.1235, p.130198, Article 130198

2021

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Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterizations and quantum computational assessments of 1‑hydroxy-3-methyl-11H-pyrido[2,1-b] quinazolin-11-one

Journal of molecular structure, 2022-02, Vol.1249, p.131592, Article 131592

2022

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DFT, molecular docking and experimental FT-IR, laser-Raman, NMR and UV investigations on a potential anticancer agent containing triazole ring system

Journal of molecular structure, 2020-07, Vol.1211, p.128077, Article 128077

2020

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Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, and quantum computational evaluation of (E)-2-(((4-bromophenyl)imino)methyl)-6-methylphenol

The Journal of physics and chemistry of solids, 2020-09, Vol.144, p.109478, Article 109478

2020

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The susceptibility effect of matrix material on the g value of any radical

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2008-12, Vol.71 (4), p.1496-1498

Ucun, Fatih

2008

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Theoretical and experimental spectroscopic studies, XPS analysis, dimer interaction energies and molecular docking study of 5-(adamantan-1-yl)-N-methyl-1,3,4-thiadiazol-2-amine

The Journal of physics and chemistry of solids, 2019-12, Vol.135, p.109091, Article 109091

2019

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Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of a biomolecule: 5-Hydroxymethyluracil

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-06, Vol.127, p.41-46

2014

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Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of 4-chlorobenzothioamide

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2013-09, Vol.113, p.130-136

2013

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Calculated optimized structures and hyperfine coupling constants of some radical adducts of α-phenyl-N-tert-buthyl nitrone in water and benzene solutions

Journal of organometallic chemistry, 2014-06, Vol.759, p.27-32

2014

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Experimental and computational study on molecular structure and vibrational analysis of a modified biomolecule: 5-Bromo-2′-deoxyuridine

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2012-06, Vol.92, p.406-414

2012

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Completed Optimised Structure of Threonine Molecule by Fuzzy Logic Modelling

Zeitschrift für Naturforschung. A, A journal of physical sciences, 2016-04, Vol.71 (4), p.381-386

2016

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Continuous Energy Values of 3-Amino-4-Nitraminofurazan Molecule by Modern Optimization Techniques

Iranian journal of optimization, 2017-12, Vol.9 (2), p.69-77

2017

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Aromatization of triafulvene and its exocyclic Si, Ge, and Sn derivations by complexation with halogen atoms

Phosphorus, sulfur, and silicon and the related elements, 2017-03, Vol.192 (3), p.351-358

2017

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Ab initio Calculation of the Molecular Structure and Vibration Frequencies of Carbonate Ions Coordinated to Calcium Ions in the Zeolite CaA by Hartree-Fock Methods

Zeitschrift für Naturforschung. A, A journal of physical sciences, 2005-09, Vol.60 (8), p.608-610

2005

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Experimental (FT-IR, NMR and UV) and theoretical (M06-2X and DFT) investigation, and frequency estimation analyses on (E)-3-(4-bromo-5-methylthiophen-2-yl)acrylonitrile

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-10, Vol.131, p.502-511

2014

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Global Reaktiflik Parametreleri ve Bazı Spektral Sonuçlarla Polipropilenin Zincir Uzunluğuna Bağlı Kimyasal Reaktifliği

Quantum chemical computational studies on 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester

Spectroscopic Investigations and DFT Calculations on 3-(Diacetylamino)-2-ethyl-3H-quinazolin-4-one

Triafulvalen, Pentafulvalen ve Heptafulvalenin Katyon ve Anyon Radikallerinin EPR Aşırı İnce-yapı Yapıları: Bir Teorik Çalışma

Δg: The new aromaticity index based on g-factor calculation applied for polycyclic benzene rings

Density Functional Theory Study on Conformers of Benzoylcholine Chloride

CTED: the new aromaticity index based on corrected total electron density at bond critical points

Synthesis, spectrophotometric and DFT studies of new Triazole Schiff bases as selective naked-eye sensors for acetate anion

Effect of external electric field on C–X ··· π halogen bonds

Vibrational analysis of 4-chloro-3-nitrobenzonitrile by quantum chemical calculations

A research on structural vibrational, surface characterization of 2-methyl-3-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4H-pyrido[1,2-a]pyrimidin-4-one hydrate: SCXRD, FT-IR, MEP, Hirshfeld and molecular docking studies

Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterizations and quantum computational assessments of 1‑hydroxy-3-methyl-11H-pyrido[2,1-b] quinazolin-11-one

DFT, molecular docking and experimental FT-IR, laser-Raman, NMR and UV investigations on a potential anticancer agent containing triazole ring system

Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterization, and quantum computational evaluation of (E)-2-(((4-bromophenyl)imino)methyl)-6-methylphenol

The susceptibility effect of matrix material on the g value of any radical

Theoretical and experimental spectroscopic studies, XPS analysis, dimer interaction energies and molecular docking study of 5-(adamantan-1-yl)-N-methyl-1,3,4-thiadiazol-2-amine

Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of a biomolecule: 5-Hydroxymethyluracil

Effect of intermolecular hydrogen bonding, vibrational analysis and molecular structure of 4-chlorobenzothioamide

Calculated optimized structures and hyperfine coupling constants of some radical adducts of α-phenyl-N-tert-buthyl nitrone in water and benzene solutions

Experimental and computational study on molecular structure and vibrational analysis of a modified biomolecule: 5-Bromo-2′-deoxyuridine

Completed Optimised Structure of Threonine Molecule by Fuzzy Logic Modelling

Continuous Energy Values of 3-Amino-4-Nitraminofurazan Molecule by Modern Optimization Techniques

Aromatization of triafulvene and its exocyclic Si, Ge, and Sn derivations by complexation with halogen atoms

Ab initio Calculation of the Molecular Structure and Vibration Frequencies of Carbonate Ions Coordinated to Calcium Ions in the Zeolite CaA by Hartree-Fock Methods

Experimental (FT-IR, NMR and UV) and theoretical (M06-2X and DFT) investigation, and frequency estimation analyses on (E)-3-(4-bromo-5-methylthiophen-2-yl)acrylonitrile

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