@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 = "27 abr. 2024"
}