Prof. Dr. AHMET ATA&#199;

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.335, 2025 (SCI-Expanded)

Empirical, computational studies and non-covalent interactions analysis of a novel salt with cadmium transition metal precursor

Jomaa I., Issaoui N., BARDAK F., Roisnel T., ATAÇ A., Marouani H.

Journal of Molecular Structure , cilt.1322, 2025 (SCI-Expanded)

A comprehensive study on the effect of substitution position and solvent effect on absorption and emission characteristics of n-methylindoles via linear response and State-Specific formalisms

Journal of Photochemistry and Photobiology A: Chemistry , cilt.450, 2024 (SCI-Expanded)

Synthesis of 2-amino-5-methylpyridinium tetrachloridocadmate(II) (C6H9N2)2[CdCl4]: Structure, DFT-calculated descriptors and molecular docking study

Jomaa I., BARDAK F., ISSAOUI N., Cabeza A., Choquesillo-Lazarte D., ATAÇ A., et al.

Journal of King Saud University - Science , cilt.36, sa.5, 2024 (SCI-Expanded)

Single and binary nickel, copper, and zinc-based nanosized oxides as anode materials in lithium-ion batteries

Egesoy E., Kap Ö., BARDAK F., Horzum N., ATAÇ A.

Journal of Materials Science: Materials in Electronics , cilt.35, sa.2, 2024 (SCI-Expanded)

Effect of anion and methylation on the interionic interactions and reactivity of 1-butyl-2,3-dimethyl imidazolium-based ionic liquids

Bilgili S., BARDAK F., ATAÇ A.

Journal of Molecular Liquids , cilt.392, 2023 (SCI-Expanded)

Investigation of the interionic interactions and spectroscopic features of 1-Octyl-3-methylimidazolium chloride, tetrafluoroborate, and hexafluorophosphate ionic liquids: An experimental survey and DFT modeling

Bilgili S., BARDAK F., KÖSE E., ATAÇ A.

Journal of Molecular Structure , cilt.1261, 2022 (SCI-Expanded)

Non covalent interactions analysis and spectroscopic characterization combined with molecular docking study of N′-(4-Methoxybenzylidene)-5-phenyl-1H-pyrazole-3-carbohydrazide

Sagaama A., Issaoui N., BARDAK F., Al-Dossary O., Kazachenko A. S., Karrouchi K., et al.

Journal of King Saud University - Science , cilt.34, sa.2, 2022 (SCI-Expanded)

Anionic dependency of electronic and nonlinear optical properties of ionic liquids

BARDAK F., BARDAK C., KARACA Ç., KÖSE E., Bilgili S., ATAÇ A.

Journal of Molecular Liquids , cilt.345, 2022 (SCI-Expanded)

Structural, spectral, experimental, and theoretical investigations of (E)-4-fluoro-N′-(pyridin-2-ylmethylene)benzohydrazide monohydrate

Latha N., Barathi D., Uthaya Kumar M., Vinitha G., Mani R., ATAÇ A., et al.

Research on Chemical Intermediates , cilt.47, sa.6, ss.2469-2486, 2021 (SCI-Expanded)

Structural, theoretical and third order nonlinear optical properties of (E)-N’-(4-chlorobenzylidene)-4-fluorobenzohydrazide monohydrate

Latha N., Barathi D., Uthaya Kumar M., Vennila K., Vinitha G., Mani R., et al.

Molecular Crystals and Liquid Crystals , cilt.725, sa.1, ss.66-80, 2021 (SCI-Expanded)

Theoretical and experimental investigation of the spectroscopic features of and interionic interactions in 1-hexyl-3-methylimidazolium chloride, 1-hexyl-3-methylimidazolium tetrafluoroborate and 1-hexyl-3-methylimidazolium hexafluorophosphate ionic liquids

Bilgili S., ATAÇ A., BARDAK F.

Journal of Molecular Liquids , cilt.301, 2020 (SCI-Expanded)

The investigation of fluorine substitution in difluoroanilines with focus on 2,6-difluoroaniline by spectroscopic methods, density functional theory approach, and molecular docking

KÖSE E., BARDAK F., ATAÇ A.

Journal of Molecular Structure , cilt.1196, ss.201-214, 2019 (SCI-Expanded)

Synthesis and physic-chemical properties of a novel chromate compound with potential biological applications, bis(2-phenylethylammonium) chromate(VI)

Trabelsi S., Issaoui N., Brandán S. A., BARDAK F., Roisnel T., ATAÇ A., et al.

Journal of Molecular Structure , cilt.1185, ss.168-182, 2019 (SCI-Expanded)

Effect of the external electric field on the electronic structure, spectroscopic features, NLO properties, and interionic interactions in ionic liquids: A DFT approach

BARDAK C., ATAÇ A., BARDAK F.

Journal of Molecular Liquids , cilt.273, ss.314-325, 2019 (SCI-Expanded)

The structural and spectroscopic investigation of 2-chloro-3-methylquinoline by DFT method and UV–Vis, NMR and vibrational spectral techniques combined with molecular docking analysis

KÖSE E., ATAÇ A., BARDAK F.

Journal of Molecular Structure , cilt.1163, ss.147-160, 2018 (SCI-Expanded)

Intermolecular interactions and molecular docking investigations on 4-methoxybenzaldehyde

Ghalla H., Issaoui N., BARDAK F., ATAÇ A.

Computational Materials Science , cilt.149, ss.291-300, 2018 (SCI-Expanded)

Synthesis, structural and spectroscopic features, and investigation of bioactive nature of a novel organic-inorganic hybrid material 1H-1,2,4-triazole-4-ium trioxonitrate

Gatfaoui S., Issaoui N., Mezni A., BARDAK F., Roisnel T., ATAÇ A., et al.

Journal of Molecular Structure , cilt.1150, ss.242-257, 2017 (SCI-Expanded)

Experimental FTIR and FT-Raman and theoretical studies on the molecular structures of monomer and dimer of 3-thiopheneacrylic acid

Issaoui N., Ghalla H., Brandán S. A., BARDAK F., Flakus H., ATAÇ A., et al.

Journal of Molecular Structure , cilt.1135, ss.209-221, 2017 (SCI-Expanded)

Spectral investigations of 2,5-difluoroaniline by using mass, electronic absorption, NMR, and vibrational spectra

KÖSE E., Karabacak M., BARDAK F., ATAÇ A.

Journal of Molecular Structure , cilt.1123, ss.284-299, 2016 (SCI-Expanded)

Spectroscopic studies on 9H-carbazole-9-(4-phenyl) boronic acid pinacol ester by DFT method

Sas E., Kurt M., Can M., Horzum N., ATAÇ A.

Journal of Molecular Structure , cilt.1118, ss.124-138, 2016 (SCI-Expanded)

Conformational, electronic, and spectroscopic characterization of isophthalic acid (monomer and dimer structures) experimentally and by DFT

BARDAK F., KARACA Ç., Bilgili S., ATAÇ A., Mavis T., Asiri A., et al.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.165, ss.33-46, 2016 (SCI-Expanded)

The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory

Karabacak M., Calisir Z., Kurt M., KÖSE E., ATAÇ A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.153, ss.754-770, 2016 (SCI-Expanded)

Molecular structure, spectroscopic characterization, HOMO and LUMO analysis of 3,3′-diaminobenzidine with DFT quantum chemical calculations

Karabacak M., Bilgili S., ATAÇ A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.150, ss.83-93, 2015 (SCI-Expanded)

The spectroscopic and quantum chemical studies of 3,4-difluoroaniline

KÖSE E., Karabacak M., ATAÇ A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.143, ss.265-280, 2015 (SCI-Expanded)

Spectral investigation and theoretical study of zwitterionic and neutral forms of quinolinic acid

Karabacak M., Sinha L., Prasad O., Bilgili S., Sachan A. K., Asiri A., et al.

Journal of Molecular Structure , cilt.1095, ss.100-111, 2015 (SCI-Expanded)

Quantum chemical calculation (electronic and topologic) and experimental (FT-IR, FT-Raman and UV) analysis of isonicotinic acid N-oxide

KARACA Ç., ATAÇ A., Karabacak M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.140, ss.85-95, 2015 (SCI-Expanded)

Conformational analysis, spectroscopic study (FT-IR, FT-Raman, UV, 1H and 13C NMR), molecular orbital energy and NLO properties of 5-iodosalicylic acid

KARACA Ç., ATAÇ A., Karabacak M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.136, sa.PB, ss.295-305, 2015 (SCI-Expanded)

DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid

Karabacak M., KÖSE E., Sas E., Kurt M., Asiri A., ATAÇ A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.136, sa.PB, ss.306-320, 2015 (SCI-Expanded)

Molecular structure investigation of neutral, dimer and anion forms of 3,4-pyridinedicarboxylic acid: A combined experimental and theoretical study

Karabacak M., Bilgili S., ATAÇ A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.135, ss.270-282, 2015 (SCI-Expanded)

Theoretical study on molecular structure and vibrational analysis included FT-IR, FT-Raman and UV techniques of 2,4,5-trimethylbenzoic acid (monomer and dimer structures)

Karabacak M., Bilgili S., ATAÇ A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.134, ss.598-607, 2015 (SCI-Expanded)

Experimental (FT-IR, FT-Raman, UV-Vis, 1H and 13C NMR) and computational (density functional theory) studies on 3-bromophenylboronic acid

Karabacak M., KÖSE E., ATAÇ A., Sas E., Asiri A., Kurt M.

Journal of Molecular Structure , cilt.1076, ss.358-372, 2014 (SCI-Expanded)

Vibrational (FT-IR and FT-Raman), electronic (UV-Vis), NMR (1H and 13C) spectra and reactivity analyses of 4,5-dimethyl-o- phenylenediamine

ATAÇ A., KARACA Ç., Gunnaz S., Karabacak M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.130, ss.516-525, 2014 (SCI-Expanded)

Monomeric and dimeric structures analysis and spectroscopic characterization of 3,5-difluorophenylboronic acid with experimental (FT-IR, FT-Raman, 1H and 13C NMR, UV) techniques and quantum chemical calculations

Karabacak M., KÖSE E., ATAÇ A., Asiri A. M., Kurt M.

Journal of Molecular Structure , cilt.1058, sa.1, ss.79-96, 2014 (SCI-Expanded)

Determination of structural and vibrational spectroscopic features of neutral and anion forms of dinicotinic acid by using NMR, infrared and Raman experimental methods combined with DFT and HF

KÖSE E., BARDAK F., ATAÇ A., Karabacak M., ÇİPİLOĞLU M. A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.114, ss.38-45, 2013 (SCI-Expanded)

FT-IR and FT-Raman, NMR and UV spectroscopic investigation and hybrid computational (HF and DFT) analysis on the molecular structure of mesitylene

KÖSE E., ATAÇ A., Karabacak M., Nagabalasubramanian P., Asiri A., Periandy S.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.116, ss.622-634, 2013 (SCI-Expanded)

Molecular structure, spectroscopic characterization (FT-IR, FT-Raman, UV and NMR), HOMO and LUMO analysis of 3-ethynylthiophene with DFT quantum chemical calculations

Karabacak M., Bilgili S., Mavis T., ESKİCİ M., ATAÇ A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.115, ss.709-718, 2013 (SCI-Expanded)

FT-Raman, FT-IR, UV spectra and DFT and ab initio calculations on monomeric and dimeric structures of 3,5-pyridinedicarboxylic acid

Nataraj A., Balachandran V., Karthick T., Karabacak M., ATAÇ A.

Journal of Molecular Structure , cilt.1027, ss.1-14, 2012 (SCI-Expanded)

Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: A combined experimental and theoretical analysis

Karabacak M., KÖSE E., ATAÇ A., ILGIN M. A., Kurt M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.97, ss.892-908, 2012 (SCI-Expanded)

Synthesis, analysis of spectroscopic and nonlinear optical properties of the novel compound: (S)-N-benzyl-1-phenyl-5-(thiophen-3-yl)-4-pentyn-2-amine

Karabacak M., KARACA Ç., ATAÇ A., ESKİCİ M., Karanfil A., KÖSE E.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.97, ss.556-567, 2012 (SCI-Expanded)

Synthesis, spectroscopic characterization and quantum chemical computational studies of (S)-N-benzyl-1-phenyl-5-(pyridin-2-yl)-pent-4-yn-2- amine

KÖSE E., ATAÇ A., Karabacak M., KARACA Ç., ESKİCİ M., Karanfil A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.97, ss.435-448, 2012 (SCI-Expanded)

Molecular structure (monomeric and dimeric structure) and HOMO-LUMO analysis of 2-aminonicotinic acid: A comparison of calculated spectroscopic properties with FT-IR and UV-vis

Karabacak M., KÖSE E., ATAÇ A.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.91, ss.83-96, 2012 (SCI-Expanded)

NMR, UV, FT-IR, FT-Raman spectra and molecular structure (monomeric and dimeric structures) investigation of nicotinic acid N-oxide: A combined experimental and theoretical study

ATAÇ A., Karabacak M., KARACA Ç., KÖSE E.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.85, sa.1, ss.145-154, 2012 (SCI-Expanded)

Spectroscopic (NMR, UV, FT-IR and FT-Raman) analysis and theoretical investigation of nicotinamide N-oxide with density functional theory

ATAÇ A., Karabacak M., KÖSE E., KARACA Ç.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.83, sa.1, ss.250-258, 2011 (SCI-Expanded)

Synthesis, spectroscopy, and characterization of some bis-nicotinamide metal(II) dihalide complexes

ATAÇ A., Yurdakul Ş., Berber S.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.81, sa.1, ss.684-689, 2011 (SCI-Expanded)

Experimental and theoretical FT-IR and FT-Raman spectroscopic analysis of N1-methyl-2-chloroaniline

Karabacak M., Kurt M., ATAÇ A.

Journal of Physical Organic Chemistry , cilt.22, sa.4, ss.321-330, 2009 (SCI-Expanded)

Infrared and Raman study of some isonicotinic acid metal(II) halide and tetracyanonickelate complexes

BARDAK F., ATAÇ A., Kurt M.

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy , cilt.71, sa.5, ss.1896-1900, 2009 (SCI-Expanded)

Synthesis and vibrational spectroscopic study of some metal(II) halide and tetracyanonickelate complexes of isonicotinic acid

ATAÇ A., BARDAK F.

Turkish Journal of Chemistry , cilt.30, sa.5, ss.609-618, 2006 (SCI-Expanded)

Synthesis and vibrational spectroscopic studies of isonicotinamide metal(II) halide complexes

ATAÇ A., Yurdakul Ş., İDE S.

Journal of Molecular Structure , cilt.783, sa.1-3, ss.79-87, 2006 (SCI-Expanded)

Spectroscopic and luminescence properties of an isonicotinic acid

Can N., ATAÇ A., BARDAK F., Sözerli Can Ş. E.

Turkish Journal of Chemistry , cilt.29, sa.6, ss.589-595, 2005 (SCI-Expanded)

Structural characterization and luminescence properties of an isonicotinic acid N-oxide Mn(II) complex

Can N., Sözerli Can S., ATAÇ A., BARDAK F.

Polyhedron , cilt.23, sa.7, ss.1109-1113, 2004 (SCI-Expanded)

Diğer Dergilerde Yayınlanan Makaleler

Crystal structure, experimental and DFT of (Z)-4-((4-fluorophenyl)amino)pent-3-en-2-one

Jeeva P., Barathi D., Prabakaran K., Seenivasa Perumal M., ATAÇ A., KÖSE E.

Asian Journal of Chemistry , cilt.33, sa.7, ss.1638-1644, 2021 (Scopus)

Luminescence as a probe of phase changes in transition metal complexes

Can N., Sozerli-Can S., Townsend P., Yang B., ATAÇ A., Peto A.

Physica Status Solidi C: Conferences , cilt.2, sa.1, ss.669-672, 2005 (Scopus)

Hakemli Bilimsel Toplantılarda Yayımlanmış Bildiriler

Transient Absorption Spectrum Simulation with QM/MM MD methods under Explicit Polar Solvent using the recent COBRAMM scripts

TURKISH PHYSICAL SOCIETY 38th INTERNATIONAL PHYSICS CONGRESS, Muğla, Türkiye, 31 Ağustos 2022, (Özet Bildiri)

Static and Dynamic Modeling of N-Methyl-Indole (N=1-6) in Water at the B3LYP/AMBER Level Using the COBRAMM Interface

7. ULUSAL YÜKSEK BAŞARIMLI HESAPLAMA KONFERANSI, İstanbul, Türkiye, 11 - 13 Mayıs 2022, (Özet Bildiri)

A Case Study for Exploration of Implicit Solvent Effect by Linear Response and State-Specific Polarizable Continuum Model: Effect of Methyl Substitution in Indole Derivatives on Absorption and Emission Characteristics

Turkish Physical Society 37th International Physics Congress, Bodrum/Muğla, Türkiye, 01 Eylül 2021, (Özet Bildiri)

4-Kinolinboronik Asidin Yoğunluk Fonksiyonel Teorisi Kullanılarak Konformasyonel ve Spektroskopik Analizi

KÖSE E., BARDAK F., ATAÇ A.

11. Uluslararası Bilimsel Araştırmalar Kongresi, Ankara, Türkiye, 20 Ağustos 2021, (Özet Bildiri)

MOLECULAR STRUCTURE PROPERTIES AND VIBRATIONAL SPECTROSCOPIC ANALYSIS OF 2-(4-BROMOPHENYL)-5-PHENYL-1,3,4-OXADIAZOLE MOLECULE

ÇALIŞIR Z., BABUR ŞAŞ E., ATAÇ A., KURT M.

4nd International Conference on Material Science and Technology in Kızılcahamam (IMSTEC’19), 18 - 20 Ekim 2019, (Tam Metin Bildiri)

INTERPRETATION OF VIBRATION SPECTRA AND ELECTRONIC PROPERTIES OF 4- (1,2,4-OXADIAZOL-3-YL) -1,2,5-OXADIAZOL-3-AMINE MOLECULE DEPENDING ON MOLECULAR GEOMETRY

ÇALIŞIR Z., BABUR ŞAŞ E., ATAÇ A., KURT M.

4nd International Conference on Material Science and Technology in Kızılcahamam (IMSTEC’19), 18 - 20 Ekim 2019, (Tam Metin Bildiri)

Bilim ve Toplum Programları Müdürlüğü Destek Programları Kapsamında Hedef Kitlesi “ÖĞRETMENLER” olan TÜBİTAK 4005- Yenilikçi Eğitim Uygulamaları Projelerinin İncelenmesi

ORHAN M., ATAÇ A., SELÇUK G.

II. Uluslararası Öğretmen Eğitimi ve Akreditasyon Kongresi, Rize, Türkiye, 27 - 29 Ekim 2018, (Özet Bildiri)

Molecular structural analysis and spectral investigation of 2-chloroethyl benzene

International Congress on the World of Technology and Advanced Materials WITAM-2018, Kırşehir, Türkiye, 21 - 23 Eylül 2018, (Tam Metin Bildiri)

Quantum chemical simulations of solvent influence on Absorption and Emission spectra of 9-Bromoanthracene and 9-Bromophenanthrene

International Congress on the World of Technology and Advanced Materials WITAM-2018, Kırşehir, Türkiye, 21 - 23 Eylül 2018, (Özet Bildiri)

In vitro cytotoxic evaluation on cancer cell lines and spectroscopic analysis of methyl-5-bromo-2-chloropyridine-3-carboxylate molecule by DFT

ÇALIŞIR Z., ATAÇ A., YALÇIN AZARKAN S., KURT M.

INTERNATIONAL CONGRESS ON THE WORLD OF TECHNOLOGY AND ADVANCED MATERIALS (WITAM-2018), 21 - 23 Eylül 2018, (Tam Metin Bildiri)

Yaşam Boyu Öğrenmenin Penceresinden Demirci’de kaybolmuş ya da Kaybolmaya Yüz Tutmuş Meslekler

ADAMAZ K., ATAÇ A., BİZBİRLİK A., SELÇUK G., ELÇİ A. N.

VIII. Uluslararası Eğitimde Araştırmalar Kongresi ULEAD 2018 Manisa, Türkiye, 9 - 11 Mayıs 2018, cilt.1, ss.200, (Özet Bildiri)

Bilim ve Toplum Programları Müdürlüğü Destek Programları Kapsamında TÜBİTAK 4004- Doğa Eğitimi ve Bilim Okulları Projelerinde “ENGELLİLER”

ORHAN M., ATAÇ A., SELÇUK G.

Uluslararası Engelsiz Bilişim 2018 Kongresi, Manisa, Türkiye, 5 - 07 Eylül 2018, (Özet Bildiri)

1-Butyl-2,3-dimethylimidazolium katyonlu iyonik sıvılardaanyon etkileri spektroskopik ve elektronik özellikleri üzerine bir çalışma

BARDAK F., BİLGİLİ S., ATAÇ A.

Adim Fizik Günleri VII, Aydın, Türkiye, 23 - 25 Mayıs 2018

Linear-Response ve state-specific yaklaşımları kullanılarak mono ve di-metilnaftalen türevlerinin çözelti etkisi altında elektronik geçişleri

Adım Fizik Günleri VII, Aydın, Türkiye, 23 - 25 Mayıs 2018, (Özet Bildiri)

UV–VIS and Flouresence Spectroscopy and PCM-DFT/TD-DFT Linear Response, State-Specific study of 1-Bromo-2-Methylnaphthalene and 1-Bromo-4-Bethylnaphthalene

Adım Fizik Günleri VII, Aydın, Türkiye, 23 - 25 Mayıs 2018, (Özet Bildiri)

2,6-Dimethylanisole Molekülünün Yapısal ve Spektroskopik (FT-IR, FT-Raman, NMR, UV-Vis) Özelliklerinin Yoğunluk Fonksiyon Teorisi (YFT) ile İncelenmesi

Adım Fizik Günleri VII, Aydın, Türkiye, 23 - 25 Mayıs 2018, (Özet Bildiri)

“Oktil zincirine sahip imidazol içeren bazı iyonik sıvılarınyapıları üzerinde anyon etkilerinin, spektroskopik ve elektronik özelliklerinin araştırılması

BİLGİLİ S., ATAÇ A., BARDAK F.

AdimFizik Günleri VII, Aydın, Türkiye, 23 - 25 Mayıs 2018

2-Chloroquinoline molekülünün yapısal, titreşim, elektronik vekimyasal kayma özelliklerinin Yoğunluk Fonksiyon Teorisi ile (YFT) spektroskopik olarak incelemesi

KÖSE E., KARACA Ç., ATAÇ A., BARDAK F.

Adım Fizik Günleri VII, Aydın, Türkiye, 23 - 25 Mayıs 2018, (Özet Bildiri)

Yoğunluk Fonksiyon Teorisi (YFT) Kullanılarak 2,5-Dimethylanisole Molekülünün Yapısal ve Spektroskopik Analizinin Yapılması

Adım Fizik Günleri VII, Türkiye, 23 - 25 Mayıs 2018, (Özet Bildiri)

Türkiye’de Sınıf Yönetimi Alanında Yapılan Lisansüstü Tezlerin İncelenmesi

SELÇUK G., ATAÇ A., KELEŞ Y. E.

II. Uluslararası Sınırsız Eğitim ve Araştırma Sempozyumu (USEAS 2018), Muğla, Türkiye, 26 - 28 Nisan 2018, (Özet Bildiri)

Tübitak 4004 /4005 Kodlu Bilim ve Toplum Programları Müdürlüğü Destek Programlarına İlişkin Görüşlerin İncelenmesi

ATAÇ A., SELÇUK G., KELEŞ Y. E.

II. Uluslararası Sınırsız Eğitim ve Araştırma Sempozyumu (USEAS 2018), Muğla, Türkiye, 26 - 28 Nisan 2018, (Özet Bildiri)

TÜBİTAK 4006 Bilim Şenliklerine Yönelik Öğrenci Görüşleri

ATAÇ A., ATALMIŞ E. H., SELÇUK G.

II. Uluslararası Stratejik Araştırmalar Kongresi, Antalya, Türkiye, 28 Eylül - 01 Ekim 2017, (Özet Bildiri)

Tübitak 4006 Bilim Şenliklerine Yönelik Öğrenci Görüşleri

ATAÇ A., ATALMIŞ E. H., SELÇUK G.

II. Uluslararası Stratejik Araştırmalar Kongresi, 28 Eylül - 01 Ekim 2017, (Özet Bildiri)

Electronic Structure, Absorption And Emission Energy Analysis of Methyldiphenylphosphine Oxide: Under Implicit Solvent Effect by Linear Response and State-Specific PCM–DFT/TD-DFT Method

KARACA Ç., ATAÇ A., BARDAK F., KÖSE E.

Turkish Physical Society 33rd International Physics Congress, Bodrum, Türkiye, 6 - 10 Eylül 2017, (Özet Bildiri)

DFT/TD-DFT Study: Computing Absorption And Fluorescence of Dopamine and Serotonin

KARABACAK M., BİLGİLİ S., ATAÇ A.

Turkish Physical Society 33rd International Physics Congress, Bodrum, 6 - 10 Eylül 2017, (Özet Bildiri)

The Experimental And Dft Analysis Of Structural And Spectroscopic Features Of 4-Aminobeyzlamine

VANLI M. S., KÖSE E., ATAÇ A., BARDAK F.

Turkish Physical Society 33rd International Physics Congress, Bodrum, Türkiye, 6 - 10 Eylül 2017, (Özet Bildiri)

The Structural and Spectroscopic Investigation of 2-Aminobeyzlamine by Using Density Functional Theory and Experimental Techniques

KÖSE E., VANLI M. S., ATAÇ A., BARDAK F.

Turkish Physical Society 33rd International Physics Congress, Bodrum, Türkiye, 6 - 10 Eylül 2017, (Özet Bildiri)

The investigation of the anion effect on the structure, spectroscopic and electronic features of some pyrrolidinium based ionic liquids

ATAÇ A., BİLGİLİ S., BARDAK F.

TFD 33 - Türk Fizik Derneği 33. Uluslararası Fizik Kongresi, 6 - 10 Eylül 2017, (Özet Bildiri)

Investigation of the interactions of Raloxifene with the estrogen receptor alpha ER(α) via quantum mechanics methods and molecular docking

BARDAK F., BİLGİLİ S., ATAÇ A.

Türk Fizik Derneği 33. Uluslararası Fizik Kongresi, 6 - 10 Eylül 2017, (Özet Bildiri)

The exploring of the anion effect on the structure, spectroscopic and electronic features of some imidazolium based ionic liquids

ATAÇ A., BİLGİLİ S., BARDAK F.

The 3rd International Turkish Congress on Molecular Spectroscopy, 26 - 29 Ağustos 2017, (Özet Bildiri)

Investigation of the interactions of Tamoxifen with the estrogen receptor alpha via quantum mechanics methods and molecular docking

BARDAK F., BİLGİLİ S., ATAÇ A.

The 3rd International Turkish Congress on Molecular Spectroscopy, 26 - 29 Ağustos 2017, (Özet Bildiri)

Experimental and ab initio DFT analysis of structural andspectroscopic features of Nitroterephthalic acid, and computational insights into its molecular interactions with estrogen receptor alpha

BARDAK F., ATAÇ A., Bütün F.

The 3rd International Turkish Congress on Molecular Spectroscopy (TURCMOS2017), 26 - 29 Ağustos 2017, (Özet Bildiri)

Molecular, electronic and spectroscopic, properties of 6-Chloroquinoline by using DFT method

KÖSE E., BARDAK F., ATAÇ A., KARACA Ç.

3rd International Turkish Congress on Molecular Spectroscopy (TURCMOS2017), Bodrum, Türkiye, 26 - 29 Ağustos 2017, (Özet Bildiri)

Quantum Mechanical Calculated Reactivity Molecular Docking Features of Difluoroanilines

BARDAK F., KÖSE E., ATAÇ A., KARACA Ç.

3rd International Turkish Congress on Molecular Spectroscopy (TURCMOS2017), Bodrum, Türkiye, 26 - 29 Ağustos 2017, (Özet Bildiri)

2,4-dimethylanisole Molekülünün, Titreşim, Kimyasal Kayma Durumları ve Elektronik Özelliklerinin Spektroskopik Olarak İncelenmesi

KÖSE E., ATAÇ A., BARDAK F., KARACA Ç.

Adım Fizik Günleri VI, Balıkesir, Türkiye, 19 - 21 Temmuz 2017, (Özet Bildiri)

2,3-dimethylanisole Molekülüne ait Yapısal, Titreşim, Elektronik ve Kimyasal Kaymaların Spektroskopik İncelemesi

KÖSE E., ATAÇ A., BARDAK F., KARACA Ç.

Adım Fizik Günleri VI, Balıkesir, Türkiye, 19 - 21 Temmuz 2017, (Özet Bildiri)

Xanthone’un TD-CAM-B3LYP ve State Specific PCM Hesaplamaları

KARACA Ç., ATAÇ A., BARDAK F., KÖSE E.

Adım Fizik Günleri VI, Balıkesir, Türkiye, 19 - 21 Temmuz 2017, (Özet Bildiri)

Öğretmen Adaylarının Kişilik Tiplerine ve Bazı Değişkenlere Göre Sınıf Yönetimine İlişkin Metaforlarının İncelenmesi

SELÇUK G., ATAÇ A.

1. Uluslararası Sınırsız Eğitim ve Araştırma Sempozyumu, Antalya, Türkiye, 24 - 26 Nisan 2017, ss.48, (Özet Bildiri)

Öğretmen Adaylarının Sınıf Yönetimine Yönelik Tutum ve İnançlarının Bazı Değişkenlere Göre İncelenmesi

SELÇUK G., ATAÇ A., ÖZAL Ç., KELEŞ Y. E., OLÇUN H.

1. Uluslararası Sınırsız Eğitim ve Araştırma Sempozyumu, Antalya, Türkiye, 24 - 26 Nisan 2017, ss.51, (Özet Bildiri)

4006 Bilim ve Toplum Projelerine Eğitim, Kültür, Sosyal ve Siyasal Açıdan Farklı Bir Bakış

ATAÇ A., ATALMIŞ E. H., SELÇUK G.

VII. Uluslararası Eğitimde Araştırmalar Kongresi, Çanakkale, Türkiye, 27 - 29 Nisan 2017, (Özet Bildiri)

Pedagojik Formasyon Öğrencilerin Öğretmenliği Seçme Nedenlerinin Öğretmenlik Meslek Tutumlarına Etkisi

ATALMIŞ E. H., ATAÇ A., SELÇUK G.

Uluslararası Stratejik Araştırmalar Kongresi, 3 - 06 Kasım 2016, (Tam Metin Bildiri)

Pedagojik Formasyon Öğrencilerin Öğretmenliği Seçme Nedenlerinin Öğretmenlik Meslek Tutumlarina Etkisi

ATALMIŞ E. H., ATAÇ A., SELÇUK G.

Uluslararasi Stratjik Araştirmalar Kongresi (ISRC 2016), Antalya, Türkiye, 3 - 06 Kasım 2016, ss.837-841, (Özet Bildiri)

Theoretical And Experimental Study Of Molecular Structure and Vibrational Spectra of 6 bromo 1H benzimidazole Molecule by Density Functional Theory

ÇALIŞIR Z., KURT M., ATAÇ A.

32th International Physics Congress, Muğla/ Bodrum, Türkiye, 6 - 09 Eylül 2016, (Özet Bildiri)

SINIF YÖNETİMİ DERSİNİN ÖĞRETMEN ADAYLARININ SINIF YÖNETİMİNE YÖNELİK TUTUM VE İNANÇLARINA ETKİSİNİN İNCELENMESİ

ATAÇ A., SELÇUK G., ÇAKMAK C., KÖSE E.

NEW TRENDS IN HIGHER EDUCATION: KEEPING UP WITH THE CHANGE, 12 - 13 Nisan 2016, (Özet Bildiri)

Sınıf Yönetimi Dersinin Öğretmen Adaylarının Sınıf Yönetimine Yönelik Tutum ve İnançlarına Etkisinin İncelenmesi

ATAÇ A., SELÇUK G., ÇAKMAK C., KÖSE E.

Yükseköğretimde Yeni Eğilimler: Değişime Ayak Uydurma, 12 - 13 Nisan 2016, (Özet Bildiri)

Spectroscopic Studies on 9H Carbazole 9 4 phenyl Boronic Acid Pinacol Ester by DFT Method

BABUR ŞAŞ E., KURT M., CAN M., HORZUM POLAT N., ATAÇ A.

1st International Turkic World Conference on Chemical Sciences and Technologies, Bosna-Hersek, 27 Ekim - 01 Kasım 2015, (Özet Bildiri)

Determination of Structural and Spectroscopic Properties of methyl 4 bromo 2 chloropyridine 3 carboxylate molecule using FT IR and NMR experimental techniques and DFT quantum chemical calculations

ÇALIŞIR Z., KURT M., KARABACAK M., ATAÇ A.

1st International Turkic World Conference on Chemical Sciences and Technologies, SARAYBOSNA, Bosna-Hersek, 27 Ekim - 01 Kasım 2015, (Özet Bildiri)

1 Butyl 3 Methylimidazolium Bis Trifluoro Methyl Sulfonyl Imide İyonik Sıvısının Elektronik Yapı Spektroskopik Özellikler ve İyonlar Arası Zayıf Etkileşmelerinin Teorik Olarak İncelenmesi

Sadi S., BARDAK F., ATAÇ A.

Adım Fizik Günleri IV, Türkiye, 28 - 29 Mayıs 2015, (Özet Bildiri)

The Quantum Chemical Calculations by Combined Most Common Spectroscopic Techniques for Pentafluoropehol

ATAÇ A., KÖSE E., KARABACAK M.

XIIIth International Conference on Molecular Spectroscopy, Wroclaw, Polonya, 9 - 13 Eylül 2015, (Özet Bildiri)

Spectral and Electronic Features of 2 bromo ethylbenzene

XIIIth International Conference on Molecular Spectroscopy, Wroclaw, Polonya, 9 - 13 Eylül 2015, (Özet Bildiri)

Effect of Halogenation on the Bioactivity and Spectroscopic Features in Transition Metal Complexes of Pharmaceutical Ligands The Case of Co2 INO 3X4 Complexes

ÇİPİLOĞLU M. A., BARDAK F., ATAÇ A., KARABACAK M.

XIIIth International Conference on Molecular Spectroscopy, Wroclaw, Polonya, 9 - 13 Eylül 2015, (Özet Bildiri)

Determınatıon of Structural and Vibratıonal Spectroscopic Properties of methyl 5 bromo 2 chloropyridine 3 carboxylate Molecule using FT IR and NMR Experimental Techniques and DFT Quantum Chemical Calculations

ÇALIŞIR Z., KURT M., KARABACAK M., ATAÇ A.

9th International Physics Conference of the Balkan Physical Union, İstanbul, Türkiye, 24 - 27 Ağustos 2015, (Özet Bildiri)

2,6 difloranilin molekülüne ait spektroskopik ve moleküler yapı analizinin kuantum kimyasal hesaplarla yapılması

ÇİPİLOĞLU M. A., KARABACAK M., YILDIRIM S., ATAÇ A.

Adım Fizik Günleri IV, Kütahya, Türkiye, 28 - 29 Mayıs 2015, (Özet Bildiri)

Spectrocopic and molecular structure investigation of neutral, dimer and anion forms of 3,4-pyridinedicarboxylic acid: a combined experimental (FT-IR, FT-Raman, NMR, UV spectra) and theoretical study

Molecular Modelling in Chemistry and Biochemistry, Cluj, Romanya, 13 Kasım 2014, ss.27, (Özet Bildiri)

Spectroscopic (FT-IR, FT-Raman, UV, 1H and 13C NMR), Structural, Electronic and Thermodynamical Properties of Isophthalic Acid Experimental and Theoretical Studies Using DFT Calculations

ÇİPİLOĞLU M. A., KÖSE E., YILDIRIM S., ATAÇ A., KARABACAK M.

The 23rd International Conference on High Resolution Molecular Spectroscopy, Bologna, İtalya, 02 Eylül 2014, (Özet Bildiri)

Spectroscopic and molecular structure investigation of neutral dimer and anion forms of 3 4 pyridinedicarboxylic acid A combined experimental FT IR FT Raman NMR UV spectra and theoretical study

ÇİPİLOĞLU M. A., BİLGİLİ S., KARABACAK M., ATAÇ A.

Molecular Modeling in Chemistry and Biochemistry, Cluj, Romanya, 13 - 15 Kasım 2014, (Özet Bildiri)

The spectroscopic FT IR FT Raman NMR and UV Vis and quantum chemical studies DFT approach of 3 4 difluoroaniline

ATAÇ A., KÖSE E., KARABACAK M., ÇİPİLOĞLU M. A., BİLGİLİ S.

Molecular Modeling in Chemistry and Biochemistry, Cluj, Romanya, 13 - 15 Kasım 2014, (Özet Bildiri)

Spectroscopic FT IR FT RAMAN UV 1H and 13C NMR structural electronıc and thermodynamıcal propertıes of isophthalic acid by experimental and theoretical studies using DFT calculations

ÇİPİLOĞLU M. A., KÖSE E., BİLGİLİ S., KARACA Ç., TUĞBA M., ATAÇ A.

The 23rd International Conference on High Resolution Molecular Spectroscopy, Bologna, İtalya, 2 - 06 Eylül 2014, (Özet Bildiri)

Spectroscopıc FT IR FT RAMAN UV 1H and 13C NMR structural electronıc and thermodynamıcal propertıes of ısophthalıc acıd by experımental and theoretıcal studıes usıng DFT calculatıons

ÇİPİLOĞLU M. A., KÖSE E., BİLGİLİ S., KARACA Ç., TUĞBA M., ATAÇ A., et al.

The 23rd International Conference on High Resolution Molecular Spectroscopy, Bologna, İtalya, 2 - 06 Eylül 2014, (Özet Bildiri)

The Structural, Electronic And Thermodynamical Properties Of 2,6-Bis(bromomethyl) pyridine.

ÇİPİLOĞLU M. A., KARACA Ç., ATAÇ A., KARABACAK M.

4. Ulusal Kristalografi Toplantısı, Dicle Üniv., Diyarbakır, Türkiye, 17 Mayıs 2014, (Özet Bildiri)

Molecular Structure, Electronic Properties, NBO Analysis And Spectroscopic Characterization Of 4-fluorophenyl)(4-hydroxy-3-methylphenyl)methanone Using Quantum Chemical Calculations

KARABACAK M., KARACA Ç., ATAÇ A., KÖSE E.

Uluslararası Katılımlı 4. Ulusal Kristalografi Toplantisi, Diyarbakır, Türkiye, 17 - 19 Mayıs 2014, (Özet Bildiri)

DFT Study and Conformational Analysisof 2-(2-fluoro-4-nitrophenoxy)-3-nitropyridine

KARABACAK M., KARACA Ç., ATAÇ A., KÖSE E.

Uluslararası Katılımlı 4. Ulusal Kristalografi Toplantisi, Diyarbakır, Türkiye, 17 - 19 Mayıs 2014, (Özet Bildiri)

İyonik sıvılarda zincir uzunluğunun moleküler titreşimler ve elektronik yapı üzerine etkisinin teorik incelenmesi 1 alkil 3 metilimidazolyum triflorometansulfonatların durumu

BARDAK F., BİLGİLİ S., ATAÇ A., KARABACAK M.

ADIM FİZİK GÜNLERİ-III, Isparta, Türkiye, 17 - 18 Nisan 2014

Molecular Structure Spectroscopic characterization FTIR FT Raman UV and NMR HOMO and LUMO Analysis of 3 3Diaminobenzidene with DFT Quantum Chemical Calculations

ATAÇ A., BİLGİLİ S., KARABACAK M.

International Turkish Congress on Molecular Spectroscopy, İstanbul, Türkiye, 15 - 20 Eylül 2013, (Özet Bildiri)

Experimental FT IR FT RAMAN UV 1H and 13C NMR and Computational Density Functional Theory studies on 3 bromophenylboronic acid

ATAÇ A., KÖSE E., KARABACAK M., KURT M.

International Turkish Congress on Molecular Spectroscopy, İstanbul, Türkiye, 15 - 20 Eylül 2013, (Özet Bildiri)

Experimental and Quantum Chemical Study on 1 Methylindole

KARACA Ç., ATAÇ A., KARABACAK M.

International Turkish Congress on Molecular Spectroscopy, İstanbul, Türkiye, 15 - 20 Eylül 2013, (Özet Bildiri)

Molecular Structure Investigation and Spectroscopic Studies on 5 Bromo 2 Chlorotoluene A Combined Experimental and Theoretical Analysis

KARABACAK M., TUĞBA M., ATAÇ A.

International Turkish Congress on Molecular Spectroscopy, İstanbul, Türkiye, 15 - 20 Eylül 2013, (Özet Bildiri)

Structural and Spectroscopıc Propertıes of 3 fluorophenylboronıc acıd on Experımental and Theoretıcal Approach

ATAÇ A., KARABACAK M., KÖSE E., KURT M.

XIIth International Conference on Molecular Spectroscopy, Krakow, Polonya, 8 - 12 Eylül 2013

Theoretical and experimental study of molecular structure and vibrational spectra of ethyl 6 chloro nicotinate molecule by density functional theory

KURT M., ÇALIŞIR Z., ATAÇ A., KARABACAK M., Karahan F.

XIIth International Conference on Molecular Spectroscopy, Krakow, Polonya, 8 - 12 Eylül 2013, (Özet Bildiri)

Theoretical study on molecular structure and vibrational analysis included FT IR and FT Raman techniques of 2 4 5 trimethylbenzoic acid using density functional theory

KARABACAK M., BİLGİLİ S., ATAÇ A.

XIIth International Conference on Molecular Spectroscopy, Krakow, Polonya, 8 - 12 Eylül 2013, (Özet Bildiri)

Theoretical study contained by FT IR FT Raman and NMR Techniques structural characterization and thermodynamically properties of Gallic acid

TUĞBA M., ATAÇ A., KARABACAK M.

30th International Physics Congress, İstanbul, Türkiye, 2 - 05 Eylül 2013, (Özet Bildiri)

An investigation of structural spectroscopic by FTIR FT RAMAN and NMR techniques and thermodynamically features of 5 chloro 2 methoxyaniline by quantum chemical calculations

BİLGİLİ S., ATAÇ A., KARABACAK M.

30th International Physics Congress, İstanbul, Türkiye, 2 - 05 Eylül 2013, (Özet Bildiri)

Structural electronic and vibrational properties of 5 iodosalicylic acid from ab initio calculations

KARACA Ç., ATAÇ A., KARABACAK M.

30th International Physics Congress, İstanbul, Türkiye, 2 - 05 Eylül 2013, (Özet Bildiri)

The Structural and Spectroscopic Characterization of 3 Methyl 1 Phenylpyrazole using Density Functional Theory Comparing and Experimental Techniques NMR FT IR and FT Raman

30th International Physics Congress, İstanbul, Türkiye, 2 - 05 Eylül 2013, (Özet Bildiri)

FT IR FT Raman Spectral Investigation and Theoretical Study Of 2 3 Pyridinedi Carboxylic Acid

BİLGİLİ S., ATAÇ A., TUĞBA M., KARABACAK M.

29th International Physics Congress, Muğla/Bodrum, Türkiye, 5 - 08 Eylül 2012, (Özet Bildiri)

Quantum chemical study on 1 Methyl 3 phenylpropylamine with combined an experimental NMR FT IR and FT Raman The structural and spectroscopic characterization

29th International Physics Congress, BODRUM, Türkiye, 5 - 08 Eylül 2012, (Özet Bildiri)

Spectroscopic FT IR AND FT Raman Analysis and Theoretical Investigation of 2 4 Pyridinedicarboxylic Acid with Density Functional Theory

TUĞBA M., ATAÇ A., BİLGİLİ S.

29th International Physics Congress, BODRUM, Türkiye, 5 - 08 Eylül 2012, (Özet Bildiri)

Theoretical Studies of isonicotinic acid N oxide

KARACA Ç., ATAÇ A., KARABACAK M.

29th International Physics Congress, BODRUM, Türkiye, 5 - 04 Eylül 2012, (Özet Bildiri)

Spectroscopic NMR UV FT IR and FT Raman analysis and theoretical investigation of 2 ethynylpyridine with density functional theory

MAVİŞ T., ATAÇ A., BİLGİLİ S., ESKİCİ M., KARABACAK M.

8th Nanoscience and Nanotechnology Congress, Ankara, Türkiye, 25 - 29 Haziran 2012

Molecular structure NMR infrared spectra HOMO LUMO analysis of 2 fluoro 4 hydroxybenzonitrile

8th Nanoscience and Nanotechnology Congress, Ankara, Türkiye, 25 - 29 Haziran 2012, (Özet Bildiri)

Determination of structural and vibrational spectroscopic properties of 3 ethynylthiophene using FT IR FT Raman UV and NMR experimental techniques combined DFT quantum chemical calculations

BİLGİLİ S., ATAÇ A., MAVİŞ T., ESKİCİ M., KARABACAK M.

8th Nanoscience and Nanotechnology Congress, Ankara, Türkiye, 25 - 29 Haziran 2012

Molecular Structure NMR Infrared and Raman Spectra HOMO LUMO analysis of p tolylacetonitrile