Ab initio self-consistent field calculations of NO2-(H2O)n and NO3-(H2O)n clusters

J. M. Howell, A. M. Sapse, E. Singman, G. Synder

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Abstract

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 languageEnglish (US)
Pages (from-to)2345-2349
Number of pages5
JournalJournal of Physical Chemistry
Volume86
Issue number13
StatePublished - Dec 1 1982
Externally publishedYes

ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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