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A Semi-Empirical Atomistic Approach in Materials Research

✍ Scribed by Byeong-Joo Lee


Book ID
107466113
Publisher
ASM International
Year
2009
Tongue
English
Weight
735 KB
Volume
30
Category
Article
ISSN
1054-9714

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πŸ“œ SIMILAR VOLUMES


A novel semi-empirical potential for cov
✍ L.RenΓ© Corrales; Peter J. Rossky πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 479 KB

A new format for describing the interactions among atoms capable of covalent bond formation is introduced and applied to sulfur in both molecular cluster and bulk amorphous forms. Bonding is described locally and evaluated via a semi-empirical quantum-chemical expression, while non-bonding interacti