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Nadezda Vladimirovna Dovzhenko, Victor Pavlovich Chelomin, Andrey Alexandrovich Mazur, Sergey Petrovich Kukla, Valentina Vladimirovna Slobodskova, Aleksandra Anatolievna Istomina and Avianna Fayazovna Zhukovskaya
The ingress of nanoparticles of metal oxides and microfragments of synthetic polymers (microplastics) into a marine environment causes unpredictable consequences. The effects of such particles cannot be predicted due to a lack of ecotoxicological informa...
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Tommaso Nottoli and Filippo Lipparini
A recent computational paper (Kalita et al., Phys. Chem. Chem. Phys. 2020, 22, 24178?24180) reports the existence of a quadruple bond between a carbon and an iron atom in the FeC(CO)3" role="presentation" style="position: relative;">33
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molecule. In th...
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Kyle Stevens, Thien Tran-Duc, Ngamta Thamwattana and James M. Hill
The Lennard?Jones potential and a continuum approach can be used to successfully model interactions between various regular shaped molecules and nanostructures. For single atomic species molecules, the interaction can be approximated by assuming a unifor...
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Nur Farina Mohamad Silan
Pág. 7
Lauryl glucoside is a surfactant that exhibits self-assembly. Lauryl glucoside has relatively simple molecular structure of 12 carbons chains makes it easier to be simulated with molecular dynamics (MD) simulation. From previous study, it was found that ...
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Yongqian Wu, Shaojian Song, Dachang Chen and Xiaoxing Zhang
Based on the first-principles of density functional theory, the SF6 decomposition products including single molecule (SO2F2, SOF2, SO2), double homogenous molecules (2SO2F2, 2SOF2, 2SO2) and double hetero molecules (SO2 and SOF2, SO2 and SO2F2, SOF2 and ...
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