Prof. Yasemin AKKAYA

Publication Network

Journal articles indexed in SCI, SSCI, and AHCI

The effects of conformation and intermolecular hydrogen bonding on the structure and IR spectra of flutamide; a study based on the matrix isolation technique, ab initio and DFT calculations

ARMAN C., BALCI K., AKKAYA Y., Akyuz S., Reaves-Mckee T., Frankamp A., et al.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , vol.292, 2023 (SCI-Expanded)

An investigation on the structure and group vibrations of balenine molecule by matrix isolation IR spectroscopy, DFT and MP2 based calculations

Balci K., Akkaya Y., Arman C., Goren Y., Akyuz S., Hacker A., et al.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , vol.268, pp.120678-120701, 2022 (SCI-Expanded)

The effects of conformation and zwitterionic tautomerism on the structural and vibrational spectral data of anserine

Balci K., Akkaya Y., Akyuz S., Collıer W. B., Stricker M. C., Stover D. D., et al.

VIBRATIONAL SPECTROSCOPY , vol.86, pp.277-289, 2016 (SCI-Expanded)

A vibrational spectroscopy study on anserine and its aqueous solutions

Akkaya Y., Balci K., Goren Y., Akyüz S., Stricker M. C., Stover D. D., et al.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , vol.149, pp.812-821, 2015 (SCI-Expanded)

A vibrational spectroscopy study on 3-aminophenylacetic acid by DFT calculations

Akkaya Y., Balci K., Goren Y., Akyuz S.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , vol.147, pp.303-315, 2015 (SCI-Expanded)

Vibrational Spectroscopic Investigation of Tetracyanopalladate Bridged Two Dimensional Coordination Polymer Compounds of Pyrimidine

Akkaya Y., Akyuz S., Akyuz T.

ASIAN JOURNAL OF CHEMISTRY , vol.25, no.16, pp.9185-9188, 2013 (SCI-Expanded)

A conformational analysis and vibrational spectroscopic investigation on 1,2-bis(o-carboxyphenoxy) ethane molecule

Balci K., Yapar G., Akkaya Y., Akyuz S., Koch A., Kleinpeter E.

Vibrational Spectroscopy , vol.58, pp.27-43, 2012 (SCI-Expanded)

DFT and MP2 based quantum mechanical calculations and a theoretical vibrational spectroscopic investigation on roscovitine, a potential drug to treat cancers

Balci K., Akkaya Y., Akyuz S., Palavan-Unsal N.

Journal of Raman Spectroscopy , vol.42, no.4, pp.719-732, 2011 (SCI-Expanded) Sustainable Development

An experimental and theoretical vibrational spectroscopic study on niflumic acid, a non-steroidal anti-inflammatory drug

Balci K., Akkaya Y., Akyuz S.

Vibrational Spectroscopy , vol.53, no.2, pp.239-247, 2010 (SCI-Expanded)

Infrared and Raman spectroscopic study of 4-aminopyrimidine tetracyanonickelate complexes

Akyüz S., Akyüz T., Akkaya Y., Akalin E.

JOURNAL OF MOLECULAR STRUCTURE , vol.834, pp.403-407, 2007 (SCI-Expanded)

Infrared and Raman spectra, ab initio calculations vibrational assignment of 4-aminosalicylic acid

Akkaya Y., AKYÜZ S.

VIBRATIONAL SPECTROSCOPY , vol.42, no.2, pp.292-301, 2006 (SCI-Expanded)

Infrared and Raman spectra, ab initio calculations, force field refinement and vibrational assignment of 3-aminophenol

Buyukmurat Y., Akyuz S.

JOURNAL OF MOLECULAR STRUCTURE , vol.744, pp.921-928, 2005 (SCI-Expanded)

Theoretical and experimental studies of IR spectra of 4-aminopyridine metal(II) complexes

Buyukmurat Y., Akyuz S.

JOURNAL OF MOLECULAR STRUCTURE , vol.651, pp.533-539, 2003 (SCI-Expanded)

Infrared-spectra and normal-coordinate analysis of quinoline and quinoline complexes

Ozel A., Buyukmurat Y., Akyuz S.

Journal of Molecular Structure , pp.455-462, 2001 (SCI-Expanded)

Theoretical and experimental IR spectra and assignments of 3-aminopyridine

Buyukmurat Y., Akyuz S.

JOURNAL OF MOLECULAR STRUCTURE , vol.563, pp.545-550, 2001 (SCI-Expanded)

Calculation and analysis of IR spectrum of 2-aminopyridine

Buyukmurat Y., Akalin E., Ozel A., Akyüz S.

JOURNAL OF MOLECULAR STRUCTURE , vol.482, pp.579-584, 1999 (SCI-Expanded)

Papers Presented at Peer-Reviewed Scientific Conferences

ANALYSIS OF THE STRUCTURAL AND VIBRATIONAL SPECTRAL DATA OF ANTICANCER DRUG FLUTAMIDE ON THE BASIS OF THE DFT AND HARTREE-FOCK CALCULATIONS

Arman C., Balcı K., Akkaya Y., Akyüz S.

TURKISH PHYSICAL SOCIETY 38 TH INTERNATIONAL PHYSICS CONGRESS, Muğla, Turkey, 31 August - 04 September 2022, pp.65

ANALYSIS OF THE STRUCTURAL AND VIBRATIONAL SPECTRAL DATA OF ANTICANCER DRUG FLUTAMIDE ON THE BASIS OF THE DFT AND HARTREE-FOCK CALCULATIONS

Arman C., Balcı K., Akkaya Y., Akyüz S.

TURKISH PHYSICAL SOCIETY 38 TH INTERNATIONAL PHYSICS CONGRESS, Muğla, Turkey, 31 August - 04 September 2022, pp.65, (Summary Text)

The effects of intermolecular interactions on the vibrational spectra of flutamide molecule: a study based on the experimental matrix FT-IR, FT-Raman, Dispersive Micro-Raman measurements and DFT calculations

Balcı K., Arman C., Akkaya Y., Akyüz S., Collıer W. B., Reaves-Mckee T. R., et al.

Turkish Physical Society 34th International Physics Congress, Muğla, Turkey, 5 - 09 September 2018, no.24, pp.459

CALCULATIONS ON THE TOTALY SYMMETRIC BOND STRETCHING VIBRATIONS OF METHANE AND SOME POLYETHYLENE MOLECULES

ŞEN T. M., AKKAYA Y., BALCI K., GÖREN Y.

Türk Fizik Derneği, 34. Uluslararası Fizik Kongresi, Muğla, Turkey, 4 - 10 September 2018, pp.59

A theoretical and experimental investigation on the effects of metal-ligand coordination on the structure and vibrational spectra of 4-aminopyrimidine molecule

AKKAYA Y., BALCI K., AKYÜZ S.

‘Türk Fizik Derneği 34.Uluslararası Fizik Kongresi’, Muğla, Turkey, 4 - 10 September 2018, pp.57, (Full Text)

The Effects Of Polymerization On The Structure And Molecular Vibrations Of Phenazopyridine

Goren Y., Akkaya Y., Balcı K., Akyüz S.

‘Türk Fizik Derneği 34.Uluslararası Fizik Kongresi’, Muğla, Turkey, 4 - 10 September 2018, pp.58, (Full Text)

An investigation on the dependencies of the structural and vibrational spectral properties of the aromatic azine molecules to the number of nitrogen atoms and their positions in the ring by using the Hartree-Fock and MP2 calculation methods

Aracı Ö., Balcı K., Akkaya Y.

Turkish Physical Society 33rd International Physics Congress, Bodrum, Muğla, Turkey, 6 - 10 September 2017, no.8, pp.537, (Full Text)

Determination of the electron-electron correlation on the structural and vibrational spectral data calculated for the cyclic oxazine molecules

Aslntaş S., Akkaya Y., Balcı K.

Turkish Physical Society 33rd International Physics Congress, Muğla, Turkey, 6 - 10 September 2017, no.3, pp.70

A molecular modeling study on the structure and vibrational properties of the chemotherapy drug letrozole

Balcı K., Akkaya Y., Akyüz S., Collıer W. B., Stover D. D., Rıtzhaupt G., et al.

Türk Fizik Derneği, 33. Uluslararası Fizik Kongresi, Muğla, Turkey, 6 - 10 September 2017, no.4, pp.535, (Summary Text)

A Density Functional Theory based study of the solvent effects on the experimental vibrational spectra of 4-aminopyrimidine

Akkaya Y., Balcı K., Akyüz S.

Türk Fizik Derneği, 33. Uluslararası Fizik Kongresi, Muğla, Turkey, 6 - 10 September 2017, pp.87, (Full Text)

A vibrational spectroscopy study on the chemotheraphy drug flutamide by DFT calculations

Arman C., Balcı K., Akkaya Y., Akyüz S., Collıer W. B.

Turkish Physical Society 33rd International Physics Congress, Muğla, Turkey, 6 - 10 September 2017, no.6, pp.536, (Summary Text)

An Experimental and Theoretical Vibrational Spectroscopic Study on Zn(II) Halide Complexes of 4-Aminopyrimidine

Akkaya Y., Balcı K., Akyüz S.

7th Cambridge Symposium on Nucleic Acids Chemistry and Biology, London, United Kingdom, 3 - 07 September 2017, no.3, pp.70, (Summary Text)

An investigation on the vibrational properties of neutral balenine by Matrix IR spectroscopy and DFT based calculations

Akkaya Y., Balcı K., Akyüz S.

33rd European Congress on Molecular Spectroscopy (EUCMOS 2016), Szeged, Hungary, 30 July - 04 August 2016, no.1, pp.93, (Summary Text)

AN INTERPRETATION OF THE IR AND RAMAN SPECTRA OF LOMUSTINE MOLECULE BY DFT CALCULATIONS

Balcı K., Akkaya Y., Akyuz S., Collıer W. B.

9th International Physics Conference of the Balkan Physical Union, İstanbul, Turkey, 24 - 27 August 2015, no.17, pp.343

A theoretical and experimental vibrational spectroscopic study on N tau-methyl histidine and its water complexes

Akkaya Y., Balcı K., Gören Y., Akyüz S.

9th INTERNATIONAL PHYSICS CONFERENCE OF THE BALKAN PHYSICAL UNION-BPU9, İstanbul, Turkey, 24 - 27 August 2015, no.6, pp.334, (Summary Text)

THE ELUCIDATION OF THE STRUCTURE AND VIBRATIONAL PROPERTIES OF 4-HYDROXYCYCLOHEXANONE BY DFT CALCULATIONS, IR AND RAMAN SPECTROSCOPIC MEASUREMENTS

Balcı K., Akkaya Y., Akyüz S., Koch A., Kleınpeter E.

TURKISH PHYSICAL SOCIETY 31 ST INTERNATIONALPHYSICS CONGRESS, Muğla, Turkey, 21 - 24 July 2014, no.10, pp.273, (Summary Text)

A VIBRATIONAL SPECTROSCOPIC INVESTIGATION ON METOLAZONE

Akkaya Y., Balcı K., Şale Y., Akyuz S.

TURKISH PHYSICAL SOCIETY 31 ST INTERNATIONALPHYSICS CONGRESS, Muğla, Turkey, 21 - 24 June 2014, no.2, pp.265, (Summary Text)

Tautomeric Preference And Conformational Analysis Of Triamterene

Gören Y., Akkaya Y., Balcı K., Akyüz S.

Turkish Physical Society 30th International Physics Congress, İstanbul, Turkey, 2 - 05 September 2013, no.34, pp.345

The Effects Of Hydrogen Bonding On The Structure And Vibrational Properties Of Difluoromethylornithine

Balcı K., Akkaya Y., Akyüz S., Unsal N. P.

Turkish Physical Society 30th International Physics Congress, İstanbul, Turkey, 2 - 05 September 2013, pp.323

Experimental And Heoretical Vibrational Spectroscopic Investigation Of Anserine And Balenine Dipeptides

AKKAYA Y., BALCI K., GÖREN Y., AKYÜZ S.

Turkish Physical Society 30th International Physics Congress, İstanbul, Turkey, 2 - 05 September 2013, pp.312

An investigation onthe structural and vibrational spectroscopic data of some biological active dipeptides

Akkaya Y., Balcı K., Gören Y., Akyüz S.

SPEC 2012 - Shedding New Light on Disease, Chiang-Mai, Thailand, 11 - 16 November 2012, no.1, pp.1

An Investigation On The Structure And Vibrational Properties Of Difluoromethylornithine By Dft Calculations, Ir And Raman Spectroscopic Measurements

Balcı K., Akkaya Y., Akyüz S.

Turkish Physical Society 29th International Physics Congress, Muğla, Turkey, 5 - 09 September 2012, no.13, pp.366, (Summary Text)

An Investigation on the Conformational Structure and Vibrational Motions of Amiloride.

GÖREN Y., AKKAYA Y., AKYÜZ S.

Turkish Physical Society 29th International Physics Congress, Turkey, 1 - 04 September 2012, pp.392

A Vibrational Spectroscopic Study On Dansyl Fluoride Molecule By Ir And Raman Spectroscopic Measurements And Dft Calculations

Balcı K., Akkaya Y., Akyüz S.

31st European Congress on Molecular Spectroscopy (EUCMOS 2012), Cluj-Napoca, Romania, 26 - 31 August 2012, no.5, pp.162

Conformational and Vibrational Spectroscopic Analysis of Amiloride Molecule

GÖREN Y., AKKAYA Y., AKYÜZ S.

31st European Congress on Molecular Spectroscopy (EUCMOS 2012), Romania, 1 - 04 August 2012, pp.183, (Full Text)

Conformational and vibrational spectroscopic analysis of 3- and 4-Aminophenylacetic acid molecules

Akkaya Y., Balcı K., Gören Y., Akyüz S.

28 th International Physics Congress, Muğla, Turkey, 6 - 09 September 2011, no.4, pp.412, (Summary Text)

A Vibrational Spectroscopic Investigation On Ibuprofen And Its Solutions

Akbay A., Balcı K., Akkaya Y., Akyüz S.

Turkish Physical Society 28th International Physics Congress, Muğla, Turkey, 6 - 09 September 2011, pp.410, (Summary Text)

A Conformational And Vibrational Spectroscopic Study On The Non-Steroidal Anti-Inflammatory Drug Piroxicam

Balcı K., Akkaya Y., Akyüz S.

Turkish Physical Society 28th International Physics Congress, Muğla, Turkey, 6 - 09 September 2011, no.16, pp.425, (Full Text)

Vibrational spectroscopic analysis of L-anserine dipeptide

Akkaya Y., Balcı K., Akyüz S.

Colloquium Spectroscopicum Internationale XXXVII, Rio-De-Janeiro, Brazil, 28 August - 02 September 2011, no.7, pp.1, (Summary Text)

Conformational Analysis And Ab-Initio, Dft Studies Of Phenazopyridine Molecule

Gören Y., Akkaya Y., Balcı K., Akyüz S.

Turkish Physical Society 28th International Physics Congress, Muğla, Turkey, 6 - 09 September 2011, pp.151

The Effects Of Dimerization On The Structure And Vibrational Spectral Data Of Ibuprofen Molecule, A Non-Steroidal Anti-Inflammatory Drug

Balcı K., Akbay A., Akkaya Y., Akyüz S.

Colloquium Spectrocopicum Internationale XXXVII, Rio-De-Janeiro, Brazil, 28 August - 02 September 2011, no.6, pp.1, (Summary Text)

A Theoretical And Experimental Vibrational Spectroscopic Study On Valine-Tyrosine And Its Water Complexes

Akkaya Y., Balcı K., Akyüz S.

Colloquium Spectrocopicum Internationale XXXVII, Rio-De-Janeiro, Brazil, 28 August - 02 September 2011, no.11, pp.1

Studies on Valine-Tyrosine, antihypertensive dipeptide in Aqueous Solution by Raman Spectroscopy

Akkaya Y., Balcı K., Akyüz S.

EUCMOS 2010, 30th European Congress of Molecular Spectroscopy, Florence, Italy, 29 August - 03 September 2010, no.51, pp.137

An Ir And Raman Spectroscopic Investigation On Alpha-Difluoromethyl-Ornithine (Dfmo), A Potential Target As Chemotherapeutic Acent

Balcı K., Akkaya Y., Akyüz S., Unsal N. P.

30th European Congress on Molecular Spectroscopy (EUCMOS 2010), Florence, Italy, 29 August - 03 September 2010, no.38, pp.124

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