Browsing by Author "Karakus, Nihat"
Now showing items 1-7 of 7
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Computational study of the intramolecular proton transfer reactions of 3-hydroxytropolone (2,7-dihydroxycyclohepta-2,4,6-trien-1-one) and its dimers
Isin, Dilara Ozbakir; Karakus, Nihat (SPRINGER, 2010)The proton transfer reaction and dimerization processes of 3-hydroxytropolone (3-OHTRN) have been investigated using density functional theory (DFT) at the B3LYP/6-31+G** level. The influence of the solvent on the proton ... -
Feasibility of tetracycline, a common antibiotic, as chelating agent for spectrophotometric determination of UO22+ after cloud point extraction
Bagda, Esra; Yabas, Ebru; Karakus, Nihat (SPRINGER, 2014)A cloud point extraction (CPE) procedure was presented for the preconcentration of UO22+ ion in different water samples. Tetracycline (TC) is the second most widely used antibiotics in the world and is used as chelating ... -
The investigation of corrosion inhibition efficiency on some benzaldehyde thiosemicarbazones and their thiole tautomers: Computational study
Karakus, Nihat; Sayin, Koray (ELSEVIER SCIENCE BV, 2015)Quantum chemical calculations using three methods, Hartree-Fock (HF), Moller-Plesset (MP) and density functional theory (DFT/B3LYP) method with SOD, 6-31G(d,p) and 6-31++G(d,p) basis sets are performed some benzaldehyde ... -
Quantum chemical study on the inhibition efficiencies of some sym-triazines as inhibitors for mild steel in acidic medium
Isin, Dilara Ozbakir; Karakus, Nihat (ELSEVIER SCIENCE BV, 2015)Quantum chemical calculations using density functional theory (DFT) at the B3LYP/6-31++G(d,p) basis set level were performed on five sym-triazines used as corrosion inhibitors for mild steel in acidic medium to determine ... -
Spectroscopic investigation, FMOs and NLO analyses of Zn(II) and Ni(II) phenanthroline complexes: A DFT approach
Sayin, Koray; Karaka, Duran; Karakus, Nihat; Sayin, Tuba Alagoz; Zaim, Zinet; Kariper, Sultan Erkan (PERGAMON-ELSEVIER SCIENCE LTD, 2015)Computational studies were carried out on three Zn(II) and three Ni(II) complexes, namely [NiL1(phen)(2)], [ZnL1(phen)(2)], [NiL2(phen)(2)], [ZnL2(phen)(2)], [NiL3(phen)(2)] and [ZnL3(phen)(2)]. These complexes were ... -
Synthesis, characterization and antiproliferative activities of novel modified poly (maleic anhydride-co-vinyl acetate)/cytosine beta-D-arabinofuranoside hydrochloride conjugate
Karakus, Gulderen; Yaglioglu, Ayse Sahin; Zengin, Haci Bayram; Karakus, Nihat (MARMARA UNIV, FAC PHARMACY, 2015)Poly (maleic anhydride-co-vinyl acetate) (MAVA) copolymer was synthesized by free-radical-polymerization reaction in methyl ethyl ketone (MEK) at 80 degrees C using benzoyl-peroxide (BPO) as the radical-initiator. MAVA was ... -
The trans-cis and the azide-tetrazole ring-chain isomerization of 2-azido-1,3-azoles: Quantum chemical study
Karakus, Nihat; Demirel, Merdan (ELSEVIER SCIENCE BV, 2015)Quantum chemical calculations using Density Functional Theory (DFT) at the B3LYP/6-31++G(d,p) basis set level were performed to investigate the azide group rotation from the trans to the cis isomer and the azido-tetrazole ...
