Multivariate characterization of molecul
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Peter Goodford
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Article
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1996
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John Wiley and Sons
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English
โ 790 KB
A force field and method for characterizing molecules are described. The approach uses specific chemical probes, each of which simulates one explicit chemical group (e.g. aliphatic hydroxyl oxygen, aromatic hydroxyl oxygen, carbonyl oxygen, phenolate oxygen, carboxy oxygen, etc.). The results are a