@Article{BarretoAlbLomGroAqu:2012:HyHaRe,
               author = "Barreto, Patricia R. B. and Albernaz, Alessandra F. and Lombardi, 
                         Andrea and Grossi, Gaia and Aquilanti, Vincenzo",
          affiliation = "{Instituto Nacional de Pesquisas Espaciais (INPE)} and Instituto 
                         de F{\`{\i}}sica, Universidade de Bras{\`{\i}}lia, CP04455, 
                         Bras{\`{\i}}lia, DF, CEP 70919-970, Brazil and Dipartimento di 
                         Chimica e Biologia, Universit{\`a} di Salerno, via Ponte don 
                         Melillo, I-84084 Fisciano, Salerno, Italy and Dipartimento di 
                         Chimica, Universit{\`a} di Perugia, via Elce di Sotto 8, 06123 
                         Perugia, Italy and Dipartimento di Chimica, Universit{\`a} di 
                         Perugia, via Elce di Sotto 8, 06123 Perugia, Italy",
                title = "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",
              journal = "Computational and Theoretical Chemistry",
                 year = "2012",
               volume = "990",
               number = "Special Issue",
                pages = "53–61",
                month = "June",
             keywords = "Interaction energy Van der Waals clusters Non-linear-molecule 
                         Diatomic molecule, molecular-beam scattering, supersonic seeded 
                         beams, aligned oxygen molecules, der-waals complexes, tetraatomic 
                         systems, rotational alignment, polyatomic systems, triatomic 
                         systems, rotovibrational levels, major components.",
             abstract = "A representation, based on the hyperspherical harmonics expansion, 
                         is given for the potential energy surfaces for the interactions of 
                         H2O with H2, N2 and O2. The interaction energies have been 
                         obtained by extensive ab initio calculations at the 
                         CCSD(T)/aug-cc-pVTZ level. The results are compared with available 
                         experimental information and with previous theoretical data at 
                         different calculation levels, based on previous work carried out 
                         in our and in others laboratories. Data are also assessed with 
                         reference to a phenomenological description specific for this kind 
                         of complexes. These analytical representations of the potential 
                         energy surfaces can be used in molecular dynamics, and are 
                         particularly suited for classical and quantum scattering studies. 
                         A minimal model representing the interaction of H2O with rare gas 
                         atoms is also presented in this article.",
                  doi = "10.1016/j.comptc.2011.12.024",
                  url = "http://dx.doi.org/10.1016/j.comptc.2011.12.024",
                 issn = "2210-271X",
             language = "en",
        urlaccessdate = "10 maio 2024"
}