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Boundary-layer calculations using the Hassid-Poreh one-equation energy model

โœ Scribed by M.M. Gibson; D.B. Spalding; W. Zinser


Publisher
Elsevier Science
Year
1978
Weight
258 KB
Volume
5
Category
Article
ISSN
0094-4548

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โœ Reddy, M. Rami; Erion, Mark D.; Agarwal, Atul; Viswanadhan, Vellarkad N.; McDona ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 236 KB

The sensitivity of aqueous solvation free energies SFEs , estimated using the GBrSA continuum solvent model, on charge sets, protocols, and force fields, was studied. Simple energy calculations using the GBrSA solvent model were performed on 11 monofunctional organic compounds. Results indicate that