Potential energy surfaces for interactions of H2O with H2, N2 and O2: A hyperspherical harmonics representation, and a minimal model for the H2O-rare-gas-atom systems

Article ID	Journal	Published Year	Pages	File Type
5394650	Computational and Theoretical Chemistry	2012	9 Pages	PDF

Abstract

âº Hyperspherical harmonics expansion of interaction potentials. âº Representation of the potential energy surface of the H2O-H2, N2, and O2 systems. âº Representation of the potential energy surface of the H2O-rare-gas systems. âº Comparison with other theoretical results. âº Comparison with experimental results.

Keywords

Interaction energy Van der Waals clusters Diatomic molecule

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Potential energy surfaces for interactions of H2O with H2, N2 and O2: A hyperspherical harmonics representation, and a minimal model for the H2O-rare-gas-atom systems

Authors

Patricia R.B. Barreto, Alessandra F. Albernaz, Amedeo Capobianco, Federico Palazzetti, Andrea Lombardi, Gaia Grossi, Vincenzo Aquilanti,