A theoretical model based on the cluster theory was developed and used to simulate the dynamics of complex systems, composed of a number of interacting agents-clusters, with different sizes M. The case of systems formed by a constant total number of agents in metastable (partial) equilibrium was con
A computational study of the cooperativity in clusters of interhalogen derivatives
✍ Scribed by Ibon Alkorta; Fernando Blanco; José Elguero
- Publisher
- Springer
- Year
- 2008
- Tongue
- English
- Weight
- 334 KB
- Volume
- 20
- Category
- Article
- ISSN
- 1040-0400
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## SYNOPSIS Clusters of ionizable groups are examined for conditions that develop cooperativity (1) on the binding of protons, and ( 2 ) on the binding of an associated ligand when the clusters are shared between domains or subunits in macromolecules. Cooperative binding isotherms for protons have
The structures and stability of fullerene derivatives were obtained from the results of density functional theory calculations that were performed on 6 non-classical and 306 classical isomers of C 58 X 18 (X = H, F, Cl). The calculated results demonstrated that the most energetically stable isomers