@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/ibi/8JMKD3MGPDW34R/3S2ELH2",
targetfile = "23 - [Artigo] Ana Claudia Pinheiro da Silva Cruz.pdf",
type = "Ci{\^e}ncia e Tecnologia de Materiais e Controle",
urlaccessdate = "25 abr. 2024"
}