Ab initio self-consistent field calculations are performed on NO2-(H2O)n and NO3-(H2O)n (n = 1-3) clusters. Optimized geometries, total energies, binding energies, and net atomic charges are presented for various structures of the clusters.
|Original language||English (US)|
|Number of pages||5|
|Journal||Journal of Physical Chemistry|
|State||Published - Dec 1 1982|
ASJC Scopus subject areas
- Physical and Theoretical Chemistry