Interaction of nitrite with alkali oxides


Erkoc F., Erkoc F.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.587, ss.81-86, 2002 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 587
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1016/s0166-1280(02)00081-7
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.81-86

Özet

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.