Theoretical Study of the O-2 + Al-4 (Tetrahedral) System in Its Singlet State and Comparisons with Its Triplet State

Erstveröffentlichung

2012

Authors

Bacalis, Naoum C.

Metropoulos, Aristophanes

Gross, Axel

Wissenschaftlicher Artikel

Published in

Journal of Physical Chemistry C ; 116 (2012), 31. - S. 16430-16435. - ISSN 1932-7447

Link to publication

https://dx.doi.org/10.1021/jp3014833

Faculties

Fakultät für Naturwissenschaften

Institutions

Institut für Theoretische Chemie

Subject headings

[Free subject headings]: GAUSSIAN-BASIS SETS | CORRELATED MOLECULAR CALCULATIONS | SILICON-OXIDE CLUSTERS | CORRELATION ENERGIES | AL(111) SURFACE | ORBITAL METHODS | DENSITY | OXYGEN | ALUMINUM | ATOMS
[DDC subject group]: DDC 540 / Chemistry & allied sciences | DDC 620 / Engineering & allied operations

Metadata

Show full item record