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An empirical interatomic potential for defect calculations in magnesium

โœ Scribed by Doneghan, M. ;Heald, P. T.

Publisher
John Wiley and Sons
Year
1975
Tongue
English
Weight
376 KB
Volume
30
Category
Article
ISSN
0031-8965

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๐Ÿ“œ SIMILAR VOLUMES

An empirical potential function for meta
An empirical potential function for metal centers: Application to molecular mechanics calculations on metalloproteins
โœ Angelo Vedani; Max Dobler; Jack D. Dunitz ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 758 KB

At present, most molecular mechanics programs that model metalloproteins do not allow for specific geometric requirements at metal centers. An analysis of small-molecule crystal structures containing four-, five-, and six-coordinated zinc, retrieved from the Cambridge Structural Database (CSD), lead