@InProceedings{CruzBarr:2017:GeCaAp,
               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 = "The spherical-harmonics representation for the interaction between 
                         XOY-AB molecules: the general case and applications to HOH-B2 and 
                         HOH-HB",
            booktitle = "Anais...",
                 year = "2017",
               editor = "Cerqueira, Christopher Shneider and B{\"u}rger, Eduardo Escobar 
                         and Yassuda, Irineu dos Santos and Rodrigues, Italo Pinto and 
                         Lima, Jeanne Samara dos Santos and Oliveira, M{\^o}nica Elizabeth 
                         Rocha de and Ten{\'o}rio, Pl{\'{\i}}nio Ivo Gama",
         organization = "Workshop em Engenharia e Tecnologias Espaciais, 8. (WETE)",
            publisher = "Instituto Nacional de Pesquisas Espaciais (INPE)",
              address = "S{\~a}o Jos{\'e} dos Campos",
             keywords = "Potential Energy Surface, Van der Waals clusters, XOY-AB 
                         molecules, Interaction Energy, Spherical harmonics.",
             abstract = "To calculate the potential energy surface (PES) of van der Waals 
                         interactions, the general case of XOY-AB molecules were 
                         represented through hyperspherical harmonics expansion, that is a 
                         mathematically rigorous procedure and a powerful tool for these 
                         interacting molecular systems, with applications also to classical 
                         and quantum molecular dynamics simulations. This technique 
                         consists in the construction of the expanded potential interaction 
                         up to terms that provide the generation of a number of leading 
                         configurations sufficient to explain faithful geometrical 
                         representations. The full general description of the method of the 
                         spherical harmonics expansion applied to the systems of nonlinear 
                         molecules interacting with diatomic molecules and applications to 
                         interaction for H2O with Hydrogen and Halogens atoms is also 
                         presented in this article.",
  conference-location = "S{\~a}o Jos{\'e} dos Campos",
      conference-year = "9-10 ago. 2017",
                 issn = "2177-3114",
             language = "en",
         organisation = "Instituto Nacional de Pesquisas Espaciais (INPE)",
                  ibi = "8JMKD3MGPDW34R/3QANAUH",
                  url = "http://urlib.net/ibi/8JMKD3MGPDW34R/3QANAUH",
           targetfile = "12_[ARTIGO] Ana Claudia Pinheiro.pdf",
                 type = "Ci{\^e}ncia e Tecnologia de Materiais e Controle",
        urlaccessdate = "20 abr. 2024"
}