Electronic factors determining the methane bond breaking process on small aluminum clusters

Erstveröffentlichung

2019

Authors

Alexandrou, I, Eleni

Gross, Axel

Bacalis, Naoum C.

Wissenschaftlicher Artikel

Published in

International Journal of Quantum Chemistry ; 119 (2019), 21. - Art.-Nr. e26003. - ISSN 0020-7608. - eISSN 1097-461X

Link to publication

https://dx.doi.org/10.1002/qua.26003

Faculties

Fakultät für Naturwissenschaften

Institutions

Institut für Theoretische Chemie

Subject headings

[Free subject headings]: aluminum clusters | catalysis | computer simulations | density functional calculations | methane | MOLECULAR-ORBITAL METHODS | COLLISION-INDUCED DISSOCIATION | SET MODEL CHEMISTRY | GAUSSIAN-TYPE BASIS | DIMETHYLALUMINUM HYDRIDE | EQUILIBRIUM GEOMETRIES | BUILDING-BLOCKS | TOTAL ENERGIES | 3RD-ROW ATOMS | C-H
[DDC subject group]: DDC 540 / Chemistry & allied sciences

Metadata

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