Molecular Mechanics Study of Nickel(II) Octaethylporphyrin Adsorbed on Graphite(0001)

Molecular Mechanics Study of Nickel(II) Octaethylporphyrin Adsorbed on Graphite(0001)

The effects of adsorption on the graphite(0001) surface on the nonplanar dis-tortions of nickel(II)octaethylporphyrin were studied by molecular mechanics (MM) ap-proach. Using the Consistent Force Field (CFF) program with previously developed pa-rameters for metalloporphyrins and supplemented to tre...

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Bibliographic Details
Main Authors: Svetozar R. Niketić, Matija Zlatar, Sonja Grubišić, Maja Gruden-Pavlović
Format: Article
Language:English
Published: MDPI AG 2007-08-01
Series:International Journal of Molecular Sciences
Subjects:
Nickel(II)octaethylporphyrin
Graphite(0001) surface
Molecular mechanics
Normal-coordinate Structural Decomposition
Online Access:http://www.mdpi.com/1422-0067/8/8/810/

Internet

http://www.mdpi.com/1422-0067/8/8/810/

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