Arş. Gör. Okan Şimşek

1. Computational Investigation of the Electronic Properties of a Benzohydrazide–Naphthalene Derivative Using DFT

7th International Conference on Scientific and Academic Research ICSAR 2025, December 23 – 24 in 2025 at Konya/Turkey., Konya, Türkiye, 24 - 25 Aralık 2025, (Tam Metin Bildiri)

2. In Silico Investigation of an Isophthalate Derivative: DFT, Molecular Docking and SwissADME Study

KANSIZ S., DEGE N., ŞİMŞEK O.

4th International Conference on Modern and Advanced Research, Konya, Türkiye, 6 - 07 Kasım 2025, (Tam Metin Bildiri)

3. Frontier Molecular Orbital, and Electron Localization Analyses of a Schiff Base Derived from (Trifluoromethoxy)benzaldehyde-Methylaniline

ŞİMŞEK O., KANSIZ S., DEGE N.

2nd International Conference on Pioneer and Academic Research, Konya, Türkiye, 15 - 25 Eylül 2025, (Tam Metin Bildiri)

4. Computational Analysis of a Ketone–Thioether Compound: Insights from DFT, MEP, and Frontier Molecular Orbitals

ŞİMŞEK O., DEGE N.

8th International Conference on Applied Engineering and Natural Sciences, Konya, Türkiye, 22 - 23 Ağustos 2025, (Tam Metin Bildiri)

5. Intermolecular Interactions Within The Aniline Derivative: A Hirshfeld Surface Analysis Approach

ŞİMŞEK O., DEGE N.

4th International Conference on Frontiers in Academic Research ICFAR 2024 December 13 - 14, 2024: Konya, Turkey, Konya, Türkiye, 13 - 14 Aralık 2024, ss.1206-1210, (Tam Metin Bildiri)

6. Density Functional Theory-Based Analysis of Pyridine Derivative: Insights into Reactivity and Stability

ŞİMŞEK O., DEGE N.

3 rd International Conference on Recent Academic Studies December 03-04, 2024 : Konya, Turkey, Konya, Türkiye, 3 - 04 Aralık 2024, ss.1201-1206, (Tam Metin Bildiri)

7. Quantum Chemical Insights into 2-[2-(Benzyloxy)benzylidene] malononitrile: DFT Analysis, MEP Surface Mapping, and HOMO-LUMO Energies

ŞİMŞEK O., KANSIZ S.

4th International Conference on Engineering and Applied Natural Sciences ICEANS 2023, Konya, Türkiye, 20 - 21 Kasım 2023, cilt.1, ss.439-443, (Tam Metin Bildiri)

8. Characterization of 4-Oxo-1,4-Dihydropyridine Compound with Ester Moiety Using DFT Calculations

KANSIZ S., ŞİMŞEK O.

2nd International Conference on Contemporary Academic Research ICCAR 2023, Konya, Türkiye, 4 - 05 Kasım 2023, cilt.1, ss.539-542, (Tam Metin Bildiri)

9. Crystal Structure and Hirshfeld Surface Analysis of a Pyrazole Derivative Compound

ŞİMŞEK O.

2nd International Conference on Recent Academic Studies ICRAS 2023, Konya, Türkiye, 19 - 20 Ekim 2023, ss.456-459, (Tam Metin Bildiri)

10. Structural Analysis, Surface Examination, and Voids Characterization of a Copper (II) Complex Featuring Dual Picolinic Acid Ligands

Kansız S., Şimşek O.

2nd International Conference on Recent Academic Studies ICRAS 2023, Konya, Türkiye, 19 - 20 Ekim 2023, cilt.2, ss.205-209, (Tam Metin Bildiri)

14. Crystal Structure and Hirshfeld Surface Analysis of Compound N-(4- (3-methyl-3mesitylcyclobutyl)-1H-imidazol-2-yl)acetamide

ŞİMŞEK O., DİNÇER M., YILMAZ İ., ÇUKUROVALI A.

International Aegean Scientific Research Symposium 2021 (IASRS'21), Türkiye, 03 Ocak 2022, ss.456-457, (Özet Bildiri)

Arş. Gör. Okan Şimşek

Yayınlar & Eserler

1. SYNTHESIS, CRYSTAL STRUCTURE, HIRSHFELD SURFACE ANALYSIS, SUPRAMOLECULAR AND COMPUTATIONAL INVESTIGATION OF THE (E)-4-METHOXY-2-(((2-METHOXY-5-(TRIFLUOROMETHYL) PHENYL)IMINO) METHYL)PHENOL COMPOUND

2. SYNTHESIS AND CHARATERIZATIONS OF THE SCHIFF BASE DERIVED FROM 2-HYDROXY-5-NITROBENZALDEHYDE ALONGWITH HIRSHFELD SURFACE ANALYSIS AND COMPUTATIONAL STUDY

3. Crystal structure and Hirshfeld surface analysis of (Z)-4-{[4-(3-methyl-3-phenylcyclobutyl)thiazol-2-yl]amino}-4-oxobut-2-enoic acid

1. Computational Investigation of the Electronic Properties of a Benzohydrazide–Naphthalene Derivative Using DFT

2. In Silico Investigation of an Isophthalate Derivative: DFT, Molecular Docking and SwissADME Study

3. Frontier Molecular Orbital, and Electron Localization Analyses of a Schiff Base Derived from (Trifluoromethoxy)benzaldehyde-Methylaniline

4. Computational Analysis of a Ketone–Thioether Compound: Insights from DFT, MEP, and Frontier Molecular Orbitals

5. Intermolecular Interactions Within The Aniline Derivative: A Hirshfeld Surface Analysis Approach

6. Density Functional Theory-Based Analysis of Pyridine Derivative: Insights into Reactivity and Stability

7. Quantum Chemical Insights into 2-[2-(Benzyloxy)benzylidene] malononitrile: DFT Analysis, MEP Surface Mapping, and HOMO-LUMO Energies

8. Characterization of 4-Oxo-1,4-Dihydropyridine Compound with Ester Moiety Using DFT Calculations

9. Crystal Structure and Hirshfeld Surface Analysis of a Pyrazole Derivative Compound

10. Structural Analysis, Surface Examination, and Voids Characterization of a Copper (II) Complex Featuring Dual Picolinic Acid Ligands

11. CRYSTAL STRUCTURE AND HIRSHFELD SURFACE ANALYSIS OF 2,2'- DIPYRIDYLAMINE CHLORIDE DIHYDRATE

12. CRYSTAL STRUCTURE AND DFT STUDIES OF 2-(6-METHOXYNAPHTHALEN-2- YL) PROPIONIC ACID

13. Crystal Structure and Hirshfeld Surface Analysis of 3,5,5-trimethyl-1-tosyl-4,5-dihydro-1H-pyrazole

14. Crystal Structure and Hirshfeld Surface Analysis of Compound N-(4- (3-methyl-3mesitylcyclobutyl)-1H-imidazol-2-yl)acetamide

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