A QM/MM approach for the study of monolayer-protected gold clusters
✍ Scribed by Banerjee, Sandipan; Montgomery, John A.; Gascón, José A.
- Book ID
- 118801234
- Publisher
- Springer
- Year
- 2012
- Tongue
- English
- Weight
- 366 KB
- Volume
- 47
- Category
- Article
- ISSN
- 0022-2461
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract In this article, we present the multicore (mc) QM/MM method, a QM/MM method that can optimize the structure of chromophore aggregate in protein. A QM region is composed of the sum of the QM subregions that are small enough to apply practical electronic structure calculations. QM/MM ener
Structural information on nanometer-sized gold particles has been limited, due in part to the problem of preparing homogeneous material. Here we report the crystallization and x-ray structure determination of a __p__ -mercaptobenzoic acid (p-MBA)–protected gold nanoparticle, which comprises 102 gold