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Article: Studies from Technical University yield new information about molecular modeling.
- Article from:
- Science Letter
- Article date:
- November 11, 2008
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Fresh data on molecular modeling are presented in the report 'Surface and interlayer structure of vermiculite intercalated with methyl viologen.' According to recent research published in the Journal of Molecular Modeling, "Molecular modeling using empirical force field revealed the differences between the surface and interlayer arrangement of the dye guest molecules in vermiculite intercalated with the divalent methyl viologen cation (MV(2+)). Conformation and anchoring of MV(2+) cations on the silicate layer in the interlayer space of vermiculite host structure is different from that on the crystal surface."
"A preferential position has been found for the ...
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