Buckministerfullerene (C-60) encapsulated ground state atoms: semi-empirical approximate effective volume relations

Date

2003-11-03

Author

Jalbout, AF
Türker, Burhan Lemi

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An AM I investigation of the molar volumes changes with values of Z for various atoms is investigated. Essentially all values for Z are decreasing according an exponential decay function for both cases of the complex atomic molar volumes, verses the molar radii computed (this is the so-called a(0) value which is recommended radius which is 0.5 Angstrom larger than the radius corresponding to the computed volume). Our calculations suggest the following relation for the X-Z(0,0,0) (Z = nuclear charge, and (0,0,0) are the (X,Y,Z) coordinates since the atom was placed at the origin of the Fullerene molecule): a(0) = 5.5778 X 10(-3)V(c) + 4.2429. (C) 2003 Published by Elsevier B.V.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62417

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(03)00241-0

Collections

Department of Chemistry, Article

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Citation Formats

A. Jalbout and B. L. Türker, “Buckministerfullerene (C-60) encapsulated ground state atoms: semi-empirical approximate effective volume relations,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 7–10, 2003, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62417.