Interaction of nitrite with alkali oxides

Erkoc F., Erkoc F.

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


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.