Interaction of nitrite with alkali oxides


Erkoc F., Erkoc F.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.587, pp.81-86, 2002 (Journal Indexed in SCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 587
  • Publication Date: 2002
  • Doi Number: 10.1016/s0166-1280(02)00081-7
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.81-86

Abstract

The structural and electronic properties of nitrite (ONO) and alkali oxides (OX; X = H, Li, Na, K) have been investigated theoretically by performing ab initio calculations in the HF level. These species form alkali-metal nitrates (ONOOX). The optimized structures and the electronic properties of the systems ONO, OX, and ONOOX are obtained. (C) 2002 Elsevier Science B.V. All rights reserved.