𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Peptide−TiO 2 Surface Interaction in Solution by Ab Initio and Molecular Dynamics Simulations

✍ Scribed by Carravetta, Vincenzo; Monti, Susanna


Book ID
126047518
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
696 KB
Volume
110
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Density functional theory for efficient
✍ Jean-Luc Fattebert; François Gygi 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 144 KB

## Abstract We present a density functional for first‐principles molecular dynamics simulations that includes the electrostatic effects of a continuous dielectric medium. It allows for numerical simulations of molecules in solution in a model polar solvent. We propose a smooth dielectric model func