@InProceedings{CruzBarr:2016:HXSyX,
               author = "Cruz, Ana Cl{\'a}udia Pinheiro da Silva and Barreto, 
                         Patr{\'{\i}}cia Regina Pereira",
          affiliation = "{Instituto Nacional de Pesquisas Espaciais (INPE)} and {Instituto 
                         Nacional de Pesquisas Espaciais (INPE)}",
                title = "Study of the potential energy surface for the H2O ... HX system 
                         with X = H, F, and Cl atoms",
            booktitle = "Anais...",
                 year = "2016",
               editor = "Cerqueira, Christopher Shneider and Souza, Alain Giacobini de and 
                         Oliveira Junior, Eloy Martins de and Bertoldo Junior, Jorge and 
                         Yassuda, Irineu dos Santos and Lima, Jeanne Samara dos Santos and 
                         Morais, Marcelo Henrique Essado de and Oliveira, M{\^o}nica 
                         Elizabeth Rocha de and Gondo, Suely Mitsuko Hirakawa and Fornari, 
                         Celso Israel and Toledo, Rafael Cardoso and Fischer, Gustavo 
                         Alexandre Achilles",
         organization = "Workshop em Engenharia e Tecnologias Espaciais, 7. (WETE)",
            publisher = "Instituto Nacional de Pesquisas Espaciais (INPE)",
              address = "S{\~a}o Jos{\'e} dos Campos",
             keywords = "Potential Energy Surface, Van der Waals clusters, H2O...HX with 
                         X=hydrogen or halogens, Interaction Energy.",
             abstract = "The H2O...HX systems were represented through hyperspherical 
                         harmonics expansion to calculate the potential energy surface 
                         (PES) of these interactions. With extensive ab initio calculations 
                         at the CCSD(T)/aug-cc-pVQZ level have been obtained the 
                         interaction energies. These analytical representations of the PES 
                         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 Hydrogen and Halogens 
                         atoms is also presented in this article.",
  conference-location = "S{\~a}o Jos{\'e} dos Campos",
      conference-year = "23-25 ago. 2016",
                 issn = "2177-3114",
             language = "en",
                  ibi = "8JMKD3MGP3W34P/3ME43PS",
                  url = "http://urlib.net/ibi/8JMKD3MGP3W34P/3ME43PS",
           targetfile = "[WETE][2016] Ana Claudia.pdf",
        urlaccessdate = "12 maio 2024"
}