MM2 study of 20-hydroxy-4,7,13,16-tetrao
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Ivan Stibor; Petr HolΓ½; Pavel Hobza; Petr ΔΓ‘rsky
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Article
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1990
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John Wiley and Sons
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English
β 610 KB
A van der Waals-type parameter set has been developed for hydrogen bonding in the MM2(85) force field to reproduce the structures and binding energies of complexes (HzOIz, (CH30H12, H3N . . HzO, H3N . . . HOCH3, (CH313N \* HzO, and HCONHz . -. HzO reported in the literature. The MM2(85) force field