@InProceedings{BarretoAAFGLPP:2018:PoEnSu,
               author = "Barreto, Patr{\'{\i}}cia Regina Pereira and Albernaz, Alessandra 
                         F. and Aquilanti, Vincenzo and Faginas-Lago, Noelia and Grossi, 
                         Gaia and Lombardi, Andrea and Pallazzetti, Federico and Pirani, 
                         Fernando",
          affiliation = "{Instituto Nacional de Pesquisas Espaciais (INPE)} and 
                         {Universidade de Bras{\'{\i}}lia (UnB)} and {Universit{\`a} 
                         degli Studi di Perugia} and {Universit{\`a} degli Studi di 
                         Perugia} and {Universit{\`a} degli Studi di Perugia} and 
                         {Universit{\`a} degli Studi di Perugia} and {Universit{\`a} 
                         degli Studi di Perugia} and {Universit{\`a} degli Studi di 
                         Perugia}",
                title = "Potential energy surface for the interaction of helium with the 
                         chiral molecule propylene oxide",
            booktitle = "Proceedings...",
                 year = "2018",
               editor = "Gervasi, O. and Murgante, B. and Misra, S. and Stankova, E. and 
                         Torre, C. M. and Rocha, A. M. A. C. and Taniar, D. and Apduhan, B. 
                         O. and Tarantino, E. and Ryu, Y.",
                pages = "593--604",
         organization = "International Conference on Computational Science and its 
                         Applications",
            publisher = "Springer",
              address = "Berlin",
             keywords = "van der Waals cluster, Chiral molecule, Quantum chemistry.",
             abstract = "The discovery of propylene oxide in the interstellar medium has 
                         raised considerable interest about this molecule, which represents 
                         one of the simplest cases of chiral systems. In this paper, we 
                         present a quantum chemical study and a phenomenological approach, 
                         through the Pirani potential function, of the system He propylene 
                         oxide in fourteen different configurations. Comparison of the 
                         optimized molecular structure at various level of theory, as well 
                         as a discussion on the two approaches is reported. The analytical 
                         form of the Pirani potential function permits future applications 
                         of classical simulations of molecular-beam collision experiments, 
                         especially to those related to chirality discrimination phenomena, 
                         in progress in our laboratory.",
  conference-location = "Melbourne, Australia",
      conference-year = "02-05 July",
                  doi = "10.1007/978-3-319-95174-4_46",
                  url = "http://dx.doi.org/10.1007/978-3-319-95174-4_46",
                 isbn = "978-331995173-7",
                 issn = "03029743",
             language = "en",
           targetfile = "barreto_potential.pdf",
        urlaccessdate = "23 maio 2024"
}