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Dynamic molecular surface areas

โœ Scribed by Lipkowitz, Kenny B.; Baker, Brian; Larter, Raima


Book ID
126482215
Publisher
American Chemical Society
Year
1989
Tongue
English
Weight
527 KB
Volume
111
Category
Article
ISSN
0002-7863

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Using experimental solubilities and partial pressures for hydrocarbon solution in water and molecular dynamics calculations of hydrocarbon water interaction energies, hydrocarbon-water cavity potentials are obtained and then plotted vs. accessible surface area. The data used is mainly for aliphatic