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Calculation of trinucleon binding energies and charge form factors using the boundary condition model

✍ Scribed by Y.E. Kim; A. Tubis


Book ID
113335972
Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
357 KB
Volume
38
Category
Article
ISSN
0370-2693

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Solvation free energies calculated using
✍ Reddy, M. Rami; Erion, Mark D.; Agarwal, Atul; Viswanadhan, Vellarkad N.; McDona πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 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