𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Matrix method of conformational optimization. Application to cyclic and polyhedral water clusters

✍ Scribed by M. V. Kirov


Book ID
110563780
Publisher
SP MAIK Nauka/Interperiodica
Year
1996
Tongue
English
Weight
444 KB
Volume
37
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


A Topological method for global optimiza
✍ Lingli Tang; Linwei Sai; Jijun Zhao; Ruifeng Qiu πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 557 KB

## Abstract A new topological method is presented to generate the isomer structures of compound clusters with well defined covalent bonds. This method, combined with density functional theory, has been used to perform global optimization of (TiO~2~)__~n~__ (__n__ = 1–6) clusters. Our comprehensive

Conformational search using a molecular
✍ Li, Zhenqin; Laidig, Keith E.; Daggett, Valerie πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 214 KB

A new conformational search method, molecular Ž . dynamics᎐minimization MDM , is proposed, which combines a molecular dynamics sampling strategy with energy minimizations in the search for lowenergy molecular structures. This new method is applied to the search for low energy configurations of clust