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Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study

✍ Scribed by Chiodo, Letizia; Salazar, Martin; Romero, Aldo H.; Laricchia, Savio; Sala, Fabio Della; Rubio, Angel

Book ID
111903093
Publisher
American Institute of Physics
Year
2011
Tongue
English
Weight
967 KB
Volume
135
Category
Article
ISSN
0021-9606

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## Abstract Structures and photoelectron spectral properties of I^βˆ’^β‹…__n__CO~2~ (__n__=1–7) clusters are presented at the level of second‐order MΓΈller–Plesset perturbation theory with relativistic corrections. Triple split‐valence 6‐311++G(d,p) basis set functions are employed herein. It is observe