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Structure of monoclinic sulphur–selenium Se3S5

✍ Scribed by Calvo, C. ;Gillespie, R. J. ;Vekris, J. E. ;Ng, H. N.

Book ID
119771354
Publisher
International Union of Crystallography
Year
1978
Weight
201 KB
Volume
34
Category
Article
ISSN
0567-7408

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The equilibrium geometries of selenium clusters Ser to Se, have been calculated. The total energy is determined for each geometry using a parameter-free density functional method, and the most prominent low-energy structures are found using combined molecular dynamics and simulated annealing techniq