A Quantum Chemistry Approach to Possible Sulfur Adsorbate Structures on the Basal Plane of Graphite Clusters
A quantum chemistry study for possible sulfur adsorbate structures on the basal plane of graphite clusters has beenmade using the MNDO method. The potential energy curves showed the possible formation of S atoms, sulfur dimer and trimer adsorbates on top and bridge substrate positions, whereas neith...
Guardado en:
Autores principales: | Vicente, José Luis, Mola, Eduardo Elías, Appignanessi, G., Zubimendi, J. L., Vázquez, L., Salvarezza, Roberto Carlos, Arvia, Alejandro Jorge |
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Formato: | Articulo |
Lenguaje: | Inglés |
Publicado: |
1996
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Materias: | |
Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/118333 |
Aporte de: |
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