Halil Gökçe

Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches

Necmi Dege, Halil Gökçe, Onur Erman Doĝan et al. · Colloids and Surfaces A Physicochemical and Engineering Aspects · 2022 · 366 citations

Medicine, Natural Sciences, Different Solvents +10

Molecular docking, Hirshfeld surface, structural, spectroscopic, electronic, NLO and thermodynamic analyses on novel hybrid compounds containing pyrazole and coumarin cores

Yusuf Sert, Mehmet Gümüş, Halil Gökçe et al. · Journal of Molecular Structure · 2018 · 99 citations

Chemical Engineering, Engineering, Covalent Bonded Framework +6

Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N′-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide

Halil Gökçe, Fatih Şen, Yusuf Sert et al. · Molecules · 2022 · 89 citations · Full text

Pharmaceutical Science, Organic Chemistry, Computational Chemistry +16

Spectroscopic (FT-IR, Raman, NMR and UV–vis.) and quantum chemical investigations of (E)-3-[4-(pentyloxy)phenyl]-1-phenylprop-2-en-1-one

Asghar Abbas, Halil Gökçe, Semīha Bahçelī et al. · Journal of Molecular Structure · 2014 · 62 citations

Spectroscopic Method, Molecular Spectroscopy, Natural Sciences +8

DFT calculations, spectroscopy and antioxidant activity studies on (E)-2-nitro-4-[(phenylimino)methyl]phenol

Ersin Temel, Can Alaşalvar, Halil Gökçe et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 58 citations

Radical (Chemistry), Organic Chemistry, Dft Calculations +3