Monte Carlo simulation of liquid hydroxylamine using ab initio intermolecular potential functions

A potential model for intermolecular interactions between hydroxylamine (NH2OH) molecules based on ab initio quantum mechanical calculations is reviewed and critically assessed by analyzing results from a Monte Carlo simulation of liquid hydroxylamine. The liquid structure is studied in detail using...

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Veröffentlicht in:	International journal of quantum chemistry 1992-06, Vol.42 (5), p.1339-1351
Hauptverfasser:	Michopoulos, Yanos, Rode, Bernd M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Effects of atomic and molecular interactions on electronic structure Electronic structure of atoms, molecules and their ions: theory Environmental and solvent effects Exact sciences and technology Physics
Online-Zugang:	Volltext
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