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@InProceedings{CruzBarr:2018:QuChCa,
               author = "Cruz, Ana Claudia Pinheiro da Silva and Barreto, Patr{\'{\i}}cia 
                         Regina Pereira",
          affiliation = "{Instituto Nacional de Pesquisas Espaciais (INPE)}",
                title = "Quantum chemistry calculations for interaction between H2O-HX and 
                         H2O-X2 systems, with X=H, F, Cl, Br atoms using SAPT method",
            booktitle = "Anais...",
                 year = "2018",
               editor = "Santos, Walter Abrah{\~a}o dos and Rodrigues, Italo Pinto and 
                         Lima, Jeanne Samara dos Santos and Rodrigues, Aline Castilho and 
                         Mateus, Dairo Antonio Cuellar and Moreira, Herbi J{\'u}nior 
                         Pereira and Barbosa, ivan M{\'a}rcio and Ten{\'o}rio, 
                         Pl{\'{\i}}nio Ivo Gama and Toledo, Rafael Cardoso and Pereira, 
                         Yuri Matheus Dias",
         organization = "Workshop em Engenharia e Tecnologia Espaciais, 9. (WETE)",
            publisher = "Instituto Nacional de Pesquisas Espaciais (INPE)",
              address = "S{\~a}o Jos{\'e} dos Campos",
             keywords = "Energy Surfaces, van der Waals interactions, geometry 
                         optimization, SAPT.",
             abstract = "The characterization of the intermolecular potential energy 
                         surfaces (PES) of pairs of simple molecular systems and their 
                         compact representation through suitable analytic functions is an 
                         essential requirement for applications of classical, 
                         semiclassical, and quantummechanical approaches to molecular 
                         spectroscopy and dynamics. We report (i) the optimized most stable 
                         leading configuration on a series of interactions between H2O-HX 
                         and H2O-X2 systems, where X = H, F, Cl, Br atoms, and (ii) and the 
                         analyze of these interactions energies, via SAPT methodology.",
  conference-location = "S{\~a}o Jos{\'e} dos Campos",
      conference-year = "15-16 ago. 2018",
                 issn = "2177-3114",
             language = "pt",
         organisation = "Instituto Nacional de Pesquisas Espaciais (INPE)",
                  ibi = "8JMKD3MGPDW34R/3S2ELH2",
                  url = "http://urlib.net/rep/8JMKD3MGPDW34R/3S2ELH2",
           targetfile = "23 - [Artigo] Ana Claudia Pinheiro da Silva Cruz.pdf",
                 type = "Ci{\^e}ncia e Tecnologia de Materiais e Controle",
        urlaccessdate = "23 nov. 2020"
}


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