𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Advanced dielectric continuum model of preferential solvation

✍ Scribed by Basilevsky, Mikhail; Odinokov, Alexey; Nikitina, Ekaterina; Grigoriev, Fedor; Petrov, Nikolai; Alfimov, Mikhail

Book ID
121299443
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
848 KB
Volume
130
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Optimized atomic radii for quantum diele
Optimized atomic radii for quantum dielectric continuum solvation models
✍ Eugene V. Stefanovich; Thanh N. Truong πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 638 KB

We present an optimized set of atomic radii for H, C, N, O, F, P, S and C1, which can be used in quantum dielectric continuum calculations. These atomic radii yield differences in hydration energies with experimental data of about 1 kcal/mol for neutral molecules, 2 kcal/mol for cations and 2-5 kcal

Boundary integral methods for the Poisso
Boundary integral methods for the Poisson equation of continuum dielectric solvation models
✍ Lawrence R. Pratt; Gregory J. Tawa; Gerhard Hummer; Angel E. GarcΓ­a; Steven A. C πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 346 KB πŸ‘ 2 views

This article tests a dielectric model for the variation of hydration free energy with the geometry of complex solutes in water. It reexpresses the Poisson equation of the model to examine the basic aspects of boundary integral methods for these problems. It compares eight examples of dielectric mode