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1

Infrared and SEM analyses of polyethyleneglycol-400 adsorbed on zeolites NaA, CaA, NaX and NaY

Nuri Öztürk, Fatih Ucun, A. Didem Muhtar, Semiha Bahçeli

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 1.28 MB

english, 2009

2

The synthesis, spectroscopic properties and theoretical calculation of some novel disperse disazo dyes derived from 3-amino-5-hydroxy-1-phenylpyrazole

Fati Karcı, Aykut Demirçalı, Fikret Karcı, İzzet Kara, Fatih Ucun

Journal:

Journal of Molecular Structure

Year:

2009

Language:

english

File:

PDF, 652 KB

english, 2009

3

Molecular structures and vibrational frequencies of xanthine and its methyl derivatives (caffeine and theobromine) by ab initio Hartree–Fock and density functional theory calculations

Fatih Ucun, Adnan Sağlam, Vesile Güçlü

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2007

Language:

english

File:

PDF, 214 KB

english, 2007

4

Molecular structures and vibrational frequencies of 2-, 3- and 4-pyridine carboxaldehydes by ab initio Hartree–Fock and density functional theory calculations

Adnan Sağlam, Fatih Ucun, Vesile Güçlü

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2007

Language:

english

File:

PDF, 370 KB

english, 2007

5

Ab initio Hartree–Fock and density functional theory study on molecular structures, energies, and vibrational frequencies of conformations of 2-hydroxy-3-nitropyridine and 3-hydroxy-2-nitropyridine

Fatih Ucun, Vesile Güçlü, Adnan Sağlam

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2008

Language:

english

File:

PDF, 700 KB

english, 2008

6

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

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2008

Language:

english

File:

PDF, 120 KB

english, 2008

7

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

Ahmet Tokatlı, Emrah Özen, Fatih Ucun, Semiha Bahçeli

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2011

Language:

english

File:

PDF, 512 KB

english, 2011

8

Experimental and theoretical study on the structure and vibrational spectra of β-2-aminopyridinium dihydrogenphosphate

Çağrı Çırak, Selçuk Demir, Fatih Ucun, Osman Çubuk

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2011

Language:

english

File:

PDF, 203 KB

english, 2011

9

Conformational and vibrational analysis of 2-, 3- and 4-trifluoromethylbenzaldehyde by ab initio Hartree–Fock, density functional theory and Moller–Plesset pertubasyon theory calculations

Yusuf Sert, Fatih Ucun, Mustafa Böyükata

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 465 KB

english, 2008

10

Computational note on the ground state hydrogen conformations and vibrational analysis of 2, 3-, 4- and 5-dihydroxybenzaldehydes by density functional theory calculation

Fatih Ucun, Adnan Sağlam, Çağrı Çırak

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 108 KB

english, 2010

11

Investigation of ground state tautomeric form of a heterocyclic disazo dye derived from barbituric acid by ab initio Hartree–Fock and density functional theory calculations

Fatih Ucun, Adnan Sağlam, Izzet Kara, Fati Karcı

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2008

Language:

english

File:

PDF, 684 KB

english, 2008

12

COMPLEXATION OF METAL IONS WITH 3,5-DI-TERT-BUTYL-1,2-BENZOQUINONE-1-MONOOXIME, ESR STUDIES OF RADICAL INTERMEDIATES

Kasumov, Veli T., Taş, Eşref, Kartal, Ibrahim, Ucun, Fatih, Köksal, Fevzi, Çukurovali, Alaaddin

Journal:

Journal of Coordination Chemistry

Year:

2001

Language:

english

File:

PDF, 953 KB

english, 2001

13

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

Çağrı Çırak, Yusuf Sert, Fatih Ucun

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2012

Language:

english

File:

PDF, 705 KB

english, 2012

14

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

Sert, Yusuf, Çırak, Çağrı, Ucun, Fatih

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2013

Language:

english

File:

PDF, 737 KB

english, 2013

15

Experimental FT-IR, Laser-Raman and DFT spectroscopic analysis of a potential chemotherapeutic agent 6-(2-methylpropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Sert, Yusuf, Al-Turkistani, Abdulghafoor A., Al-Deeb, Omar A., El-Emam, Ali A., Ucun, Fatih, Çırak, Çağrı

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 1018 KB

english, 2014

16

Use of vibrational spectroscopy to study 4-benzyl-3-(thiophen-2-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione: A combined theoretical and experimental approach

Sert, Yusuf, El-Emam, Ali A., Al-Abdullah, Ebtehal S., Al-Tamimi, Abdul-Malek S., Çırak, Çağrı, Ucun, Fatih

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 1.09 MB

english, 2014

17

FT-IR, Laser-Raman spectra and quantum chemical calculations of methyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate-A DFT approach

Sert, Yusuf, Sreenivasa, S., Doğan, H., Manojkumar, K.E., Suchetan, P.A., Ucun, Fatih

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 1.11 MB

english, 2014

18

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

Çırak, Çağrı, Sert, Yusuf, Ucun, Fatih

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 762 KB

english, 2014

19

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

Tokatlı, Ahmet, Ucun, Fatih

Journal:

Journal of Physical Organic Chemistry

Year:

2014

Language:

english

File:

PDF, 357 KB

english, 2014

20

Vibrational frequency analysis, FT-IR and Laser-Raman spectra, DFT studies on ethyl (2E)-2-cyano-3-(4-methoxyphenyl)-acrylate

Sert, Yusuf, Sreenivasa, S., Doğan, Hatice, Mohan, N.R., Suchetan, P.A., Ucun, Fatih

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 1.03 MB

english, 2014

21

The biomolecule, 2-[(2-methoxyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile: FT-IR, Laser-Raman spectra and DFT

Sert, Yusuf, El-Emam, Ali A., Al-Deeb, Omar A., Al-Turkistani, Abdulghafoor A., Ucun, Fatih, Çırak, Çağrı

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 1.02 MB

english, 2014

22

Vibrational spectroscopy investigation using M06-2X and B3LYP methods analysis on the structure of 2-Trifluoromethyl-10H-benzo[4,5]-imidazo[1,2-a]pyrimidin-4-one

Sert, Yusuf, Mahendra, M., Chandra,, Shivashankar, K., Puttaraju, K.B., Doğan, H., Çırak, Çagrı, Ucun, Fatih

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 1.24 MB

english, 2014

23

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

Sert, Yusuf, Balakit, Asim A., Öztürk, Nuri, Ucun, Fatih, El-Hiti, Gamal A.

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2014

Language:

english

File:

PDF, 637 KB

english, 2014

24

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

Ucun, Fatih, Aydın, Sinem Gürkan

Journal:

Journal of Organometallic Chemistry

Year:

2014

Language:

english

File:

PDF, 784 KB

english, 2014

25

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

Çırak, Çağrı, Sert, Yusuf, Ucun, Fatih

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2013

Language:

english

File:

PDF, 812 KB

english, 2013

26

Synthesis, characterization and vibrational spectra analysis of ethyl (2Z)-2-(2-amino-4-oxo-1,3-oxazol-5(4H)-ylidene)-3-oxo-3-phenylpropanoate

Kıbrız, İbrahim Evren, Sert, Yusuf, Saçmacı, Mustafa, Şahin, Ertan, Yıldırım, İsmail, Ucun, Fatih

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2013

Language:

english

File:

PDF, 1.27 MB

english, 2013

27

FT-IR and Raman vibrational analysis, B3LYP and M06-2X simulations of 4-bromomethyl-6-tert-butyl-2H-chromen-2-one

Sert, Yusuf, Puttaraju, K.B., Keskinoğlu, Sema, Shivashankar, K., Ucun, Fatih

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.19 MB

english, 2015

28

EPR of Powder Copper Phthalocyaninate Substituted with Eight Tetraazamacrocycles and its Nonanuclear Ni2+, Co2+, Zn2+ and Cu2+ Complexes

Ko¨ksal, Fevzi, Ucun, Fatih, Agˇar, Erbil, Kartal, Ibrahim

Journal:

Journal of Chemical Research

Year:

1998

Language:

english

File:

PDF, 394 KB

english, 1998

29

AN IR STUDY OF TRIMETHYL PHOSPHITE ADSORBED ON NaY ZEOLITE

Ucun, Fatih, Çiçek, Ekrem, Bahçeli, Semiha

Journal:

Spectroscopy Letters

Year:

2002

Language:

english

File:

PDF, 133 KB

english, 2002

30

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

Ucun, Fatih, Tokatlı, Ahmet

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.66 MB

english, 2015

31

A Time-Frequency Analysis for Deflection of a Cutting Disc Used in Sawing Process

Ucun, Ismail, Hocaoglu, Fatih Onur, Gorgulu, Sukru

Journal:

Advanced Materials Research

Year:

2011

Language:

english

File:

PDF, 319 KB

english, 2011

32

Determination of Cutting Disc Deformation Using Axial Forces Produced during the Cutting Process

Akarslan, Emre, Hocaoğlu, Fatih Onur, Ucun, Ismail

Journal:

Applied Mechanics and Materials

Year:

2014

Language:

english

File:

PDF, 644 KB

english, 2014

33

Determination of Force Constants of Planar XY3 and Tetrahedral XY4 Molecules by the GF Matrix Method

Güçlü, Vesile, Ucun, Fatih

Journal:

Zeitschrift für Naturforschung A

Year:

2005

Language:

english

File:

PDF, 107 KB

english, 2005

34

Determination of the Force Constants of Non-linear XY2 Molecules in the Gas-Phase by the GF Matrix Method

Ucun, Fatih, Gūçlü, Vesile

Journal:

Zeitschrift für Naturforschung A

Year:

2004

Language:

english

File:

PDF, 42 KB

english, 2004

35

Completed Optimised Structure of Threonine Molecule by Fuzzy Logic Modelling

Sahiner, Ahmet, Ucun, Fatih, Kapusuz, Gulden, Yilmaz, Nurullah

Journal:

Zeitschrift für Naturforschung A

Year:

2016

Language:

english

File:

PDF, 3.10 MB

english, 2016

36

Determination of Displacements on a Cutting Disc During Sawing Process

Ucun, Ismail, Hocaoglu, Fatih Onur, Gorgulu, Sukru

Journal:

Year:

2016

Language:

english

File:

PDF, 811 KB

english, 2016

37

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

Ucun, Fatih, Atalay, Y., İlbasmış, T.

Journal:

Zeitschrift für Naturforschung A

Year:

2005

Language:

english

File:

PDF, 51 KB

english, 2005

38

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

Tokatlı, Ahmet, Tunç, Fatmagül, Ucun, Fatih, Oturak, Halil

Journal:

Phosphorus Sulfur and Silicon and the Related Elements

Year:

2016

Language:

english

File:

PDF, 533 KB

english, 2016

39

Conformational, IR, NMR, and EPR analysis of ifosfamide by density functional theory calculation

Osmanoğlu, Yunus Emre, Tokatlı, Ahmet, Sütçü, Kerem, Osmanoğlu, Şemsettin, Ucun, Fatih

Journal:

Monatshefte für Chemie - Chemical Monthly

Year:

2017

Language:

english

File:

PDF, 909 KB

english, 2017

40

Determination of Force Constants of Octahedral XY6 Molecules by the GF Matrix Method

Ucun, Fatih, Şengül, M. Gökhan

Journal:

Zeitschrift für Naturforschung A

Year:

2005

Language:

english

File:

PDF, 156 KB

english, 2005

41

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

Sert, Yusuf, Ucun, Fatih, El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S.

Journal:

Journal of Spectroscopy

Year:

2016

Language:

english

File:

PDF, 2.03 MB

english, 2016

42

Density Functional Theory Study on Conformers of Benzoylcholine Chloride

Karakaya, Mustafa, Ucun, Fatih, Tokatlı, Ahmet

Journal:

Journal of Spectroscopy

Year:

2013

Language:

english

File:

PDF, 3.91 MB

english, 2013

43

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

Al-Wahaibi, Lamya H., Sert, Yusuf, Ucun, Fatih, Al-Shaalan, Nora H., Alsfouk, Aisha, El-Emam, Ali A., Karakaya, Mustafa

Journal:

Journal of Physics and Chemistry of Solids

Year:

2019

Language:

english

File:

PDF, 1.75 MB

english, 2019

44

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

Al-Wahaibi, Lamya H., Sert, Yusuf, Ucun, Fatih, Al-Shaalan, Nora H., Alsfouk, Aisha, El-Emam, Ali A., Karakaya, Mustafa

Journal:

Journal of Physics and Chemistry of Solids

Year:

2019

File:

PDF, 1.75 MB

2019

45

EPR Study of Cr5+ and Cu2+ in Some Zeolites Introduced by Solid- and Liquid-State Reactions

Köksal, Fevzi, Ucun, Fatih, Kartal, İbrahim

Journal:

Zeitschrift für Naturforschung A

Year:

1996

Language:

english

File:

PDF, 2.51 MB

english, 1996

46

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

Sert, Yusuf, El-Hiti, Gamal A., GÃ¶kce, Halil, Ucun, Fatih, Abdel-Wahab, Bakr F., Kariuki, Benson M.

Journal:

Journal of Molecular Structure

Year:

2020

Language:

english

File:

PDF, 5.97 MB

english, 2020

47

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

Sert, Yusuf, DoÄan, Onur Erman, GÃ¶kce, Halil, AÄar, TuÄgan, Ucun, Fatih, Dege, Necmi

Journal:

Journal of Physics and Chemistry of Solids

Year:

2020

File:

PDF, 5.30 MB

2020

48

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

Balakit, Asim A., Makki, Sajjad Q., Sert, Yusuf, Ucun, Fatih, Alshammari, Mohammed B., Thordarson, Pall, El-Hiti, Gamal A.

Journal:

Supramolecular Chemistry

Year:

2020

File:

PDF, 4.42 MB

2020

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