Theoretical investigation of the interaction of CH4 with Al-2 and Al-3 neutral and charged clusters

Erstveröffentlichung
2010
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Wissenschaftlicher Artikel


Authors
Alexandrou, Eleni, I
Gross, Axel
Bacalis, Naoum C.
Faculties
Fakultät für Naturwissenschaften
Institutions
Institut für Theoretische Chemie
Published in
Journal of chemical physics ; 132 (2010), 15. - Art.-Nr. 154701. - ISSN 0021-9606. - eISSN 1089-7690
Link to publication
https://dx.doi.org/10.1063/1.3376174
Funding information
European Union
Keywords
aluminium; atomic clusters; atom-molecule reactions; binding energy; bonds (chemical); charge exchange; density functional theory; desorption; dissociation; ion-molecule reactions; metal clusters; organic compounds; reaction kinetics theory; vibrational states; MOLECULAR-ORBITAL METHODS; DENSITY-FUNCTIONAL THEORY; COLLISION-INDUCED DISSOCIATION; SET MODEL CHEMISTRY; GAUSSIAN-TYPE BASIS; ALUMINUM CLUSTERS; 3RD-ROW ATOMS; DIMETHYLALUMINUM HYDRIDE; EQUILIBRIUM GEOMETRIES; ELECTRONIC-STRUCTURE
Dewey Decimal Group
DDC 530 / Physics
DDC 540 / Chemistry & allied sciences
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