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Molecular structures, binding energies and electronic properties of dopyballs C59X (X=B, N and S)

✍ Scribed by Noriyuki Kurita; Kinya Kobayashi; Hiroki Kumahora; Kazutami Tago; Kunio Ozawa


Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
353 KB
Volume
198
Category
Article
ISSN
0009-2614

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## Abstract __Ab initio__ calculations of structural stability and properties of selected IIIa–Va monomers (BN, BP, AlN, AlP), and dimers and trimers thereof are presented. It was demonstrated that multireference methods are needed for an appropriate description of the electronic structure of the d