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New Interaction Parameters for Oxygen Compounds in the GROMOS Force Field: Improved Pure-Liquid and Solvation Properties for Alcohols, Ethers, Aldehydes, Ketones, Carboxylic Acids, and Esters

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Description scientific article published on 25 March 2011
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author: Philippe H Hünenberger  Bruno A C Horta  Wilfred F van Gunsteren 

Publication date March 25, 2011
Language English
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