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Reaction Kinetics and Catalysis Letters

, Volume 7, Issue 4, pp 431–435 | Cite as

Cluster model for the surface OH groups of beryllium oxide

  • E. P. Smirnov
  • V. N. Filimonov
Article

Abstract

Cluster models calculated by a semiempirical CNDO method are used to describe properties of the surface hydroxy groups of beryllium oxide. The results are compared with those obtained from IR studeies and with data on BeO energy bands.

Keywords

Oxide Physical Chemistry Catalysis Energy Band Beryllium 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Abstract

Для описания свойств поверхностных гидроксильных групп окиси бериллия исполь-зуются кластерные модели, которые рассчитываются полуэмпирическим методом ППДП. Резуьтаты расчетов сопоставляются с данными, полученными методом ИКспектроскопии и экспериментальной информацией об энергетических зонах BeO.

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Copyright information

© Akadémiai Kiadó 1977

Authors and Affiliations

  • E. P. Smirnov
    • 1
  • V. N. Filimonov
    • 1
  1. 1.Institute of PhysicsState UniversityLeningradUSSR

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