Konu "Gaussian 09" için Araştırma Çıktıları | TR-Dizin | WoS | Scopus | PubMed listeleme
Toplam kayıt 4, listelenen: 1-4
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Computational examination of degradation reactions of Buprofezin
(Bulgarska Akademiya na Naukite, 2022)Degradation reactions of molecules to be investigated will be examined by molecular modeling methods and theoretical approaches will be proposed for reaction pathways. For this purpose, possible reactions were calculated ... -
Modelling of oxydibenzenesulfonyl hydrazide (OBSH) in gas-phase
(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, ... -
Molecules of benidipine: experimental and theoretical investigation
(Bulgarian Acad Science, 2017)In the search for a plausible mechanism for the photocatalytic degradation reaction of BEN, DFT reactivity descriptors were employed to have information about the most susceptible sites for hydroxyl radical attack. ... -
Possible reaction pathways of the lincomycin molecule according to the DFT calculation method
(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 ...