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

Erstveröffentlichung
2010Authors
Alexandrou, Eleni, I
Gross, Axel
Bacalis, Naoum C.
Wissenschaftlicher Artikel
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/10.1063/1.3376174Faculties
Fakultät für NaturwissenschaftenInstitutions
Institut für Theoretische ChemieSubject headings
[Free subject headings]: 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[DDC subject group]: DDC 530 / Physics | DDC 540 / Chemistry & allied sciences