𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum Mechanical Continuum Solvation Models for Ionic Liquids

✍ Scribed by Bernales, Varinia S.; Marenich, Aleksandr V.; Contreras, Renato; Cramer, Christopher J.; Truhlar, Donald G.

Book ID
119947282
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
472 KB
Volume
116
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Quantum Mechanical Continuum Solvation M
Quantum Mechanical Continuum Solvation Models
✍ Jacopo Tomasi; Benedetta Menucci; Roberto Cammi πŸ“‚ Article πŸ“… 2005 πŸ› John Wiley and Sons βš– 8 KB

## Abstract For Abstract see ChemInform Abstract in Full Text.

Quantum Mechanical Continuum Solvation M
Quantum Mechanical Continuum Solvation Models
✍ Tomasi, Jacopo; Mennucci, Benedetta; Cammi, Roberto πŸ“‚ Article πŸ“… 2005 πŸ› American Chemical Society 🌐 English βš– 779 KB
Quantum Mechanical Continuum Solvation M
Quantum Mechanical Continuum Solvation Models
✍ Tomasi, Jacopo; Mennucci, Benedetta; Cammi, Roberto πŸ“‚ Article πŸ“… 2005 πŸ› American Chemical Society 🌐 English βš– 779 KB
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