Articles with "molecular mechanic" as a keyword



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In silico investigations of alginate biopolymer on the Fe (110), Cu (111), Al (111) and Sn (001) surfaces in acidic media: Quantum chemical and molecular mechanic calculations

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Published in 2020 at "Journal of Molecular Liquids"

DOI: 10.1016/j.molliq.2020.113479

Abstract: Abstract Herein, the inhibition behavior of alginate biopolymer with different chain length (fragments) on corrosion of Fe (110), Cu (111), Al (111) and Sn (001) surfaces in acidic medium was investigated using quantum chemical calculations… read more here.

Keywords: molecular mechanic; 110 111; 111 001; 111 111 ... See more keywords