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DFT and CCSD(T) electronic properties and structures of aluminum clusters: Al n x (n =1–9, x =0, ±1).

Authors :
Kiohara, Valéria O.
Carvalho, Edson F.V.
Paschoal, Carlos W.A.
Machado, Francisco B.C.
Roberto-Neto, Orlando
Source :
Chemical Physics Letters. May2013, Vol. 568-569, p42-48. 7p.
Publication Year :
2013

Abstract

Highlights: [•] Accurate structures of aluminum clusters: Al n x (n =1–9, x =0, ±1). [•] Electron affinities and ionization potential. [•] DFT and CCSD(T) electronic calculations. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00092614
Volume :
568-569
Database :
Academic Search Index
Journal :
Chemical Physics Letters
Publication Type :
Academic Journal
Accession number :
89193445
Full Text :
https://doi.org/10.1016/j.cplett.2013.03.005