Kurum Yazarı "Eren, Bahar" WoS İndeksli Yayınlar Koleksiyonu İçin Listeleme
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Analysis of the reaction kinetics of aminotoluene molecule through DFT method
Eren, Bahar; Gürkan, Yelda Yalçın (Bulgarian Acad Science, 2015)In this study, the most probable reaction paths of aminotoluene (o-toluidine) molecule with OH radical were analyzed. The optimized geometry was calculated via Gauss View 5. Subsequently, the lowest energy status was found ... -
Modelling of oxydibenzenesulfonyl hydrazide (OBSH) in gas-phase
Eren, Bahar; Gürkan, Yelda Yalçın (Scientific Publ-India, 2019)Oxydibenzenesulfonyl hydrazide (OBSH), under some circumstances, can act as a foaming factor, and also as a crosslinking agent in the hardening reaction. Another use of OBSH is elastomer production under room pressure, ... -
The most stable transition state complexes of the aminotoluene molecule
Eren, Bahar; Gürkan, Yelda Yalçın (Bulgarian Acad Science, 2016)In this study the most probable reaction paths of ATnm, OATnm, MATnm, PATnm, NMATo and NMATm transition states with OH radicals have been analyzed. The optimized geometry was calculated via Gauss View 5. Subsequently, the ... -
Photodegradation kinetics of organophosphorous with hydroxyl radicals: Experimental and theoretical study
Aydogdu, S.; Hatipoğlu, A.; Eren, Bahar; Gürkan, Yelda Yalçın (Serbian Chemical Society, 2021)The presence of organophosphorus compounds (OPs) in the environmental counterparts has become an important problem because of their toxicity. In this study, the photocatalytic degradation reactions of the three OPs with ... -
Possible reaction pathways of the lincomycin molecule according to the DFT calculation method
Eren, Bahar; Gürkan, Yelda Yalçın (Serbian Chemical Soc, 2017)Human-used antibiotics are eliminated from the body with little or no transformation at all. Traces of eliminated antibiotics enter the receiving environment directly since they cannot be treated in prevalent wastewater ...