Do&#231;. Dr. HACER G&#220;M&#220;Ş

Journal of Clinical Case Reports and Studies , cilt.6, sa.5, ss.1-3, 2025 (Hakemli Dergi)

2. Investigation of the Electronic Structure Analyses of Antioxidant 2,2' Dithymoquinone by using DFT Method

Clinical Trials and Case Studies , cilt.4, sa.3, ss.1-5, 2025 (Scopus)

3. Molecular Structure and Thermodynamic Properties of Morphine, Ibuprofen and Aspirin Using DFT Method

Journal of Clinical Case Reports and Studies , cilt.6, sa.2, ss.1-5, 2025 (Scopus)

4. Investigating the Molecular Structure of 3’-Hydroxy- 5,7-Dimethoxy-4-O-2’-Cycloflavan Molecule for the Risk of Chronic Cardiovascular Diseases

SYSTEMATIC REVIEWS IN PHARMACY , 2024 (Hakemli Dergi)

5. Benzothiazole-derived Compound with Antitumor Activity: Molecular Structure Determination Using Density Functional Theory (Dft) Method

Hacer G.

10.29328/journal.apb.1001023 , cilt.8, sa.1, ss.1-7, 2024 (Hakemli Dergi)

6. Molecular Docking Study of the Benzylidene-bis-(4-Hydroxycoumarin) Derivatives as Antiviral to Coronavirus COVID-19.

İPEK C., GÜMÜŞ H.

SYSTEMATIC REVIEWS IN PHARMACY , 2024 (Hakemli Dergi)

7. Computational Analysis of Density Functional Theory (DFT method), Thermodynamic Investigations and Molecular Docking Studies on 1-(2'-Thiophen)-3-(2,3,5-trichlorophenyl)-2-propen-1-one.

SYSTEMATIC REVIEWS IN PHARMACY , 2024 (Hakemli Dergi)

8. Comparative Thermodynamic Analysis of Pain-Relieving Molecules

Clinical Orthopaedics and Trauma Care , cilt.21, 2023 (Scopus)

9. Structural and Spectroscopic Characterization of 3-[4-(Trifluoromethyl)Phenyl]-3a,4,8,8a-Tetrahydro-6H-[1,3] Dioxepino[5,6-d][1,2]Oxazole Compound: An Experimental and Density Functional Theory Study

GÜMÜŞ H., TEKİN N., KARA Y. S.

JOURNAL OF APPLIED SPECTROSCOPY , cilt.89, sa.6, ss.1150-1157, 2023 (SCI-Expanded, Scopus) Sürdürülebilir Kalkınma

10. DFT and Molecular Docking Study of 1-(2 '-Thiophen)-2-propen-1-one-3-(2,3,5-trichlorophenyl) (TTCP) Molecule as Antiviral to Covid-19 Main Protease

İPEK C., GÜMÜŞ H., Simsek M., Tosun M.

ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING , cilt.48, sa.1, ss.1031-1040, 2023 (SCI-Expanded, Scopus)

11. Evaluation of the Antioxidant Properties of Coumarin Derivatives Using Spectroscopic Methods

Journal of Clinical Cardiology and Cardiovascular Interventions , cilt.14, 2022 (Scopus)

12. Conformational, spectroscopic, electric and electronic investigations on 5-nitropyridine-2-hydrazino-3-carbonitrile-6-methyl-4-(methoxymethyl) (molecule 2): Molecular docking study

Gumus H.

JOURNAL OF MOLECULAR STRUCTURE , cilt.1211, 2020 (SCI-Expanded, Scopus)

13. Spectroscopic (Vibrational and NMR) Characterizations and Molecular Docking Analysis of Zn(II), Cd(II) and Hg(II) Complexes with Alkyl-Aryl Dithiocarbamates

ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING , cilt.45, sa.6, ss.4929-4937, 2020 (SCI-Expanded, Scopus)

14. 2- (2-hidroksi-5-metoksi-3-nitrobenziliden)-N-metilhidrazin-1-karbotioamid Molekülünün Kuantum Kimyasal Karakterizasyonu

Muş Alparslan Üniversitesi Fen Bilimleri Dergisi , cilt.7, sa.1, ss.611-620, 2019 (Hakemli Dergi)

15. Nikotinamid İçeren Çinko (II) Kompleksinin Moleküler Özellikleri ve Titreşim Spektrumu

Gümüşhane Üniversitesi Fen Bilimleri Dergisi , cilt.9, sa.2, ss.254-261, 2019 (Hakemli Dergi)

16. Theoratical calculations of LASO molecule by using DFT/B3LYP and DFT/HSEH1PBE levels

Sakarya University Journal of Science , ss.1, 2018 (Hakemli Dergi)

17. 3-hydroxy-4-hydroxyiminomethyl-5-hydroxymethyl-1,2-dimethylpyridinium iodide molekülünün geometrik yapısının incelenmesi

GÜMÜŞ H., ATALAY Y.

SAÜ Fen Bilimleri Enstitüsü Dergisi , cilt.21, sa.3, ss.564-571, 2017 (Hakemli Dergi)

18. A Theoretical Study on Structural, Spectroscopic, Electronic and Nonlinear Optical Properties of 1-[(E)-{[4-(Morpholin-4-Yl)Phenyl]Imino}Methyl]Naphthalen-2-Ol

Gumus H., Tamer O., Avci D., Atalay Y., TARCAN E.

BRAZILIAN JOURNAL OF PHYSICS , cilt.46, sa.5, ss.471-480, 2016 (SCI-Expanded, Scopus)

19. Density functional theory calculations on conformational, spectroscopic and electrical properties of 3-(2,3-dimethoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one: a potential nonlinear optical material

INDIAN JOURNAL OF PHYSICS , cilt.90, sa.1, ss.79-89, 2016 (SCI-Expanded, Scopus)

20. A theoretical study on 2-chloro-5-(2-hydroxyethyl)-4-methoxy-6-methylpyrimidine by DFT/ab initio calculations

MATERIALS SCIENCE-POLAND , cilt.33, sa.2, ss.369-380, 2015 (SCI-Expanded, Scopus)

21. 4 Metoksimetil 1 6 Dimetil 2 Okso 1 2 Dihidropiridin 3 Karbonitril Molekülünün Teorik Olarak İncelenmesi

GÜMÜŞ H., TAMER Ö., AVCI D., ATALAY Y.

SAÜ Fen Bilimleri Enstitüsü Dergisi , cilt.19, sa.3, ss.303-311, 2015 (Hakemli Dergi)

22. Theoretical Investigations on Nonlinear Optical and Spectroscopic Properties of 6-(3,3,4,4,4-Pentafluoro-2-hydroxy-1-butenyl)-2,4-pyrimidinedione: An Efficient NLO Material

Gumus H., Tamer O., Avci D., TARCAN E., Atalay Y.

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A , cilt.88, sa.13, ss.2348-2358, 2014 (SCI-Expanded, Scopus)

23. Effects of donor-acceptor groups on the structural and electronic properties of 4-(methoxymethyl)-6-methyl-5-nitro-2-oxo-1, 2-dihydropyridine-3-carbonitrile

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.132, ss.183-190, 2014 (SCI-Expanded, Scopus)

24. Quantum chemical calculations on the geometrical, conformational, spectroscopic and nonlinear optical parameters of 5-(2-Chloroethyl)-2,4-dichloro-6-methylpyrimidine

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.129, ss.219-226, 2014 (SCI-Expanded, Scopus)

25. Theoretical Investigation of 6-(3,3,4,4,4-Pentafluoro-2-Hydroxy-1-Butenyl)-2,4-Dimethoxy-Pyrimidine Molecule

Pir H., Gunay N., Avci D., Tamer O., TARCAN E., Atalay Y.

ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING , cilt.39, sa.7, ss.5799-5814, 2014 (SCI-Expanded, Scopus)

26. Quantum chemical computational studies on bis-thiourea zinc acetate

Pir H., Gunay N., Tamer O., Avci D., TARCAN E., Atalay Y.

MATERIALS SCIENCE-POLAND , cilt.31, sa.3, ss.357-371, 2013 (SCI-Expanded, Scopus)

27. Theoretical investigation of 5-(2-Acetoxyethyl)-6-methylpyrimidin-2, 4-dione: Conformational study, NBO and NLO analysis, molecular structure and NMR spectra

Pir H., Gunay N., Tamer O., Avci D., Atalay Y.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.112, ss.331-342, 2013 (SCI-Expanded, Scopus)

28. NLO and NBO Analysis of Sarcosine-Maleic Acid by Using HF and B3LYP Calculations

Gunay N., Pir H., Avci D., Atalay Y.

JOURNAL OF CHEMISTRY , 2013 (SCI-Expanded, Scopus)

29. Quantum chemical computational studies on bisthiourea zinc chloride

Pir H., Gunay N., Avci D., Atalay Y.

INDIAN JOURNAL OF PHYSICS , cilt.86, sa.12, ss.1049-1063, 2012 (SCI-Expanded, Scopus)

30. Study of the solvent effects on the molecular structure and C=O stretching vibrations of flurbiprofen

TEKİN N., Pir H., Sagdinc S.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.98, ss.122-131, 2012 (SCI-Expanded, Scopus)

31. Molecular structure, vibrational spectra, NLO and NBO analysis of bis(8-oxy-1-methylquinolinium) hydroiodide

Pir H., Gunay N., Avci D., Atalay Y.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.96, ss.916-924, 2012 (SCI-Expanded, Scopus)

32. A THEORETICAL STUDY ON 5 4 CHLOROPHENYL 1H TETRAZOLE

GÜMÜŞ H., GÜNAY N., ESMER K., TARCAN E., ATALAY Y.

BALKAN PHYSICS LETTERS , cilt.19, ss.341-349, 2011 (Hakemli Dergi)

33. A THEORETICAL STUDY ON 5 CHLORO 8 HYDROXYQUINOLINIUM NITRATE

GÜMÜŞ H., ATALAY Y., GÜNAY N., AVCI D., BAŞOĞLU A.

BALKAN PHYSICS LETTERS , cilt.19, ss.350-361, 2011 (Hakemli Dergi)

34. L ASPARAGİNYUM PİKRAT MOLEKÜLÜNÜN SPEKTROSKOPİK ÖZELLİKLERİNİN TEORİK OLARAK İNCELENMESİ

GÜNAY N., GÜMÜŞ H., ATALAY Y.

SAU Fen Edebiyat Dergisi , 2011 (Hakemli Dergi)

35. Spectroscopic and DFT studies of flurbiprofen as dimer and its Cu(II) and Hg(II) complexes

Sagdinc S., Pir H.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY , cilt.73, sa.1, ss.181-194, 2009 (SCI-Expanded, Scopus)

36. Molecular Structure Analysis of Morpholin-4-ium p-Aminobenzoate (MPABA) with Antiallergic Effects

Clinical Trials and Case Studies , cilt.3, ss.35-40, 2004 (Scopus)

37. Spectroscopic Characterization of (E)-1,4-Bis(3,4-dimethoxyphenyl) but-1-ene Ligand: IR and NMR Analysis Using DFT Methods

Clinical Trials and Case Studies , cilt.107, ss.241-243, 2003 (Scopus)

38. Geometric structure and electronic properties of the fluorinated 7-hydroxycoumarin derivative molecule with anti-inflammatory effect: Homo-Lumo, MEP

Clinical Orthopedics and Trauma Care , cilt.39, ss.83-87, 2003 (Scopus)

Hakemli Bilimsel Toplantılarda Yayımlanmış Bildiriler 44

1. MODELING AND MOLECULAR STRUCTURE DETERMINATION OF FLAVAN-CONTAINING COMPOUND

EU 5th INTERNATIONAL CONFERENCE ON HEALTH, ENGINEERING AND APPLIED SCIENCES, Rome, İtalya, 13 - 16 Haziran 2024, ss.1-10, (Tam Metin Bildiri)

2. DELVING INTO (E)-1,4-BIS(3,4-DIMETHOXYPHENYL)BUT-1-ENE LIGAND: SPECTROSCOPIC (FT-IR AND NMR) STUDIES BY DFT METHODS

EU 5th INTERNATIONAL CONFERENCE ON HEALTH, ENGINEERING AND APPLIED SCIENCES, Rome, İtalya, 13 - 16 Haziran 2024, ss.15-25, (Tam Metin Bildiri)

3. (E)-1,4-BIS(3,4-DİMETOKSİFENİL)BUT-1-ENE LİGANDININ İNCELENMESİ: DFT YÖNTEMLERİ İLE SPEKTROSKOPİK (FT-IR VE NMR) ÇALIŞMALARI

5th INTERNATIONAL CONFERENCE ON HEALTH, ENGINEERING AND APPLIED SCIENCES, Rome, İtalya, 13 - 16 Haziran 2024, (Tam Metin Bildiri)

4. FLAVAN İÇEREN BİLEŞİĞİN MODELLENMESİ VE MOLEKÜLER YAPISININ BELİRLENMESİ

5th INTERNATIONAL CONFERENCE ON HEALTH, ENGINEERING AND APPLIED SCIENCES, Rome, İtalya, 13 - 16 Haziran 2024, (Tam Metin Bildiri)

5. KUMARİN TÜREVİ BİLEŞİĞİN SPEKTROSKOPİK YÖNTEMLERLE DEĞERLENDİRİLMESİ

EUROPEAN CONFERENCES 4th INTERNATIONAL CONFERENCE ON HEALTH, ENGINEERING AND APPLIED SCIENCES, Paris, Fransa, 12 - 14 Nisan 2024, (Tam Metin Bildiri)

6. ANTİTÜMÖR AKTİVİTESİNE SAHİP BENZOTİYAZOL İÇEREN BİLEŞİĞİN DFT YÖNTEMİYLE MOLEKÜLER YAPI TAYİNİ

EUROPEAN CONFERENCES 4th INTERNATIONAL CONFERENCE ON HEALTH, ENGINEERING AND APPLIED SCIENCES, Paris, Fransa, 12 - 14 Nisan 2024, (Tam Metin Bildiri)

7. DFT HESAPLAMALARINA DAYALI CİVA, KADMİYUM VE ÇİNKO METAL KOMPLEKSLERİNİN MOLEKÜLER YAPILARININ VE SPEKTROSKOPİK ÖZELLİKLERİNİN İNCELENMESİ

AKDENIZ 11th INTERNATIONAL CONFERENCE ON APPLIED SCIENCES, Mersin, Türkiye, 23 - 25 Şubat 2024, (Tam Metin Bildiri)

8. ANTİVİRAL ÖZELLİĞE SAHİP NİTROPİRİDİN TÜREVLİ BİLEŞİĞİN MOLEKÜLER YERLEŞTİRME (DOCKİNG) YÖNTEMİYLE İNCELENMESİ

AKDENIZ 11th INTERNATIONAL CONFERENCE ON APPLIED SCIENCES, Mersin, Türkiye, 23 - 25 Şubat 2024, (Tam Metin Bildiri)

9. THERMO-PHYSICAL INVESTIGATIONS OF DITHYMOQUINONE MOLECULE BY USING DENSITY FUNCTIONAL THEORY (DFT)

İPEK C., GÜMÜŞ H., ŞAHİN Ç.

The 2nd World Energy Storage Conference (WESC-2022) Medeniyet University, Istanbul, Türkiye, İstanbul, Türkiye, 18 Aralık 2022, (Tam Metin Bildiri)

10. ORBITAL ENERGY MODELLING WITH DFT METHOD

GÜMÜŞ H., İPEK C., ŞAHİN Ç.

The 2nd World Energy Storage Conference (WESC-2022) Medeniyet University, Istanbul, Türkiye, İstanbul, Türkiye, 18 Aralık 2022, (Tam Metin Bildiri)

11. DFT AND MOLECULAR DOCKING STUDIES ON A NOVEL COMPOUND FOR THEIR POTENTIAL USE AGAINST SARS-COV-2

ABANT 1ST INTERNATIONAL CONFERENCE ON CURRENT SCIENTIFIC RESEARCHES, 1 - 04 Aralık 2022, ss.17-23, (Tam Metin Bildiri)

12. DİTİMOKİNON ((4AR,8AS)-2,6-DİİZOPROPİL-4A,8A-DİMETİL-4A,4B,8A,8BTETRAHİDROBİFENİLEN- 1,4,5,8-TETRAON) MOLEKÜLÜNÜN DFT (B3LYP VE HSEH1PBE) METODU İLE GEOMETRİK, SPEKTROSKOPİK VE ELEKTRONİK ÖZELLİKLERİNİN TAYİNİ

ABANT 1ST INTERNATIONAL CONFERENCE ON CURRENT SCIENTIFIC RESEARCHES, 01 Aralık 2022, ss.9-16, (Tam Metin Bildiri)

13. 6-Methylpyrimidine-2-Chloro-5-(2-Hydroxyethyl)-4-Methoxy Molekülünün Moleküler Yerleştirme Hesaplamaları

1.Uluslararası Sosyal ve Teknik Bilimler Sempozyumu USTEK’2022, 12 - 13 Eylül 2022, ss.104-109, (Tam Metin Bildiri)

14. Moleküler Yerleştirme Yöntemini Kullanan Yeni Bir Tiyofen Türevi Üzerinde Teorik Hesaplamalı Bir Çalışma

1.Uluslararası Sosyal ve Teknik Bilimler Sempozyumu USTEK’2022, 12 Eylül 2022, ss.110-114, (Tam Metin Bildiri)

15. Spectroscopic investigations (IR and NMR) by DFT method of 3,3'-(2,5-Dimethoxybenzylidene)-bis-[4-hydroxycoumarin]

INTERNATIONAL CONFERENCES ON SCIENCE AND TECHNOLOGY in Budva, MONTENEGRO, 07 Eylül 2022, ss.67-74, (Tam Metin Bildiri)

16. Molecular docking study of the benzylidene-bis-(4-hydroxycoumarin) derivatives as antiviral to coronavirus COVID-19

İPEK C., GÜMÜŞ H.

8th International Conference on Materials Science and Nanotechnology For Next Generation (MSNG-2021) July 14-16, 2021 / TURKEY, Elazığ, Türkiye, 14 - 16 Temmuz 2021, ss.21-29, (Tam Metin Bildiri) Sürdürülebilir Kalkınma

17. Molecular docking and DFT calculations of antiviral molecules proposed for COVID-19 treatment: a computational modeling

GÜMÜŞ H., şimşek m.

8th International Conference on Materials Science and Nanotechnology For Next Generation (MSNG-2021) July 14-16, 2021 / TURKEY, Elazığ, Türkiye, 14 - 16 Temmuz 2021, ss.66-72, (Tam Metin Bildiri) Sürdürülebilir Kalkınma

18. Computational analysis (DFT method), thermodynamic investigations and molecular docking studies on 1-(2´-Thiophen)-3-(2,3,5-trichlorophenyl)-2-propen-1-one

8th International Conference on Materials Science and Nanotechnology For Next Generation (MSNG-2021) July 14-16, 2021 / TURKEY, Elazığ, Türkiye, 14 - 16 Temmuz 2021, ss.31-36, (Tam Metin Bildiri)

19. INVESTIGATION OF ANTİVİRAL PYRIMIDINE DERIVATIVE AS COVID-19 DRUG WITH MOLECULAR DOCKING AND DFT CALCULATIONS