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Ab-initio modeling of acceptor–hydrogen complexes in CdTe

✍ Scribed by P. Alberto; V.J.B. Torres; J. Coutinho; P.R. Briddon

Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
105 KB
Volume
376-377
Category
Article
ISSN
0921-4526

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## Abstract Protonacceptor properties of the HOO radical were investigated previously by means of __ab initio__ as well as topological Atoms in Molecules (AIM) and Electron Localization Function (ELF) methods. It was pointed out that in the radical there are three nonequivalent positions most susce