@Article{BarretoAlbePala:2012:ExXeIn,
author = "Barreto, Patr{\'{\i}}cia RP and Albernaz, AF and Palazzetti, F",
affiliation = "{Instituto Nacional de Pesquisas Espaciais (INPE)} and
{Universidade de Bras{\'{\i}}lia} and {Universit{\`a} di
Perugia}",
title = "Potential energy surfaces for van der waals complexes of rare
gases with H2S and H2S2: Extension to xenon interactions and
hyperspherical harmonics representation",
journal = "International Journal of Quantum Chemistry",
year = "2012",
volume = "112",
number = "3",
pages = "834 - 847",
month = "Feb.",
keywords = "H2O-Rg, H2S-Rg, H2O2-Rg, H2S2-Rg, interaction energy, van der
Waals complex o-o bond, molecular-structure, intramolecular
dynamics, intermolecular forces, hydrogen-peroxide, dipole-moment,
hartree-fock, ab-initio, quantum, systems.",
abstract = "This article is an account and extension of a series of recent
investigations, which using extensive quantum chemical methods
provide analytical hyperspherical representations of the potential
energy surfaces for the interactions of rare gases with H2S as a
rigid molecule, and H2S2, considered as a floppy molecule with
respect to torsional mode. For the H2S-rare gas systems, the
representation is based on a minimal model, here introduced and
discussed. For H2S2, the study of the interaction with Xe, not
considered previously, completes the series. The results are
discussed with reference to the properties and trends expected for
interactions of van der Waals type.",
doi = "10.1002/qua.23073",
url = "http://dx.doi.org/10.1002/qua.23073",
issn = "0020-7608",
language = "en",
urlaccessdate = "03 jun. 2024"
}