Theoretical study of MgCn, MgCn(super +), MgCn(super -) (n = 1 - 7) open-chain clusters

Authors :: Redondo, Pilar
Barrientos, Carmen
Cimas, Alvaro
Largo, Antonio
Source :: Journal of Physical Chemistry A. June 12, 2003, Vol. 107 Issue 23, p4676, 7 p.
Publication Year :: 2003
Abstract: MgCn (n = 1 - 7) open-chain clusters, as well as their cationic and anionic derivatives are studied by means of the B3LYP density functional method. The relative stability of the different clusters is discussed employing the concept of incremental binding energy.

Subjects :: Density functionals -- Usage
Carbon -- Research
Carbon -- Atomic properties
Cluster analysis
Chemicals, plastics and rubber industries

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