Selenium nanoparticles (SeNPs) have shown vital prospects in cancer medicine and nutritional science. Has anybody tried to create SeNPs from their hexagonal lattice cell and model them using molecular mechanics force fields?
I myself use gaff ff and resp charges for Se related species
Thanks Zhaoxi Sun. How about interaction with solvent and Se? What are the non-bonded parameters?
In GAFF you can have the vdw and RESP gives the charge
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this electrode can't be open.
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need a. Suggestion for best article related to management studies in data science
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kindly reply me. Thanking you in advance.
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