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		<issn>2177-3114</issn>
		<citationkey>CruzBarr:2018:QuChCa</citationkey>
		<title>Quantum chemistry calculations for interaction between H2O-HX and H2O-X2 systems, with X=H, F, Cl, Br atoms using SAPT method</title>
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		<year>2018</year>
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		<author>Cruz, Ana Claudia Pinheiro da Silva,</author>
		<author>Barreto, Patrícia Regina Pereira,</author>
		<group>CMS-ETES-SESPG-INPE-MCTIC-GOV-BR</group>
		<affiliation>Instituto Nacional de Pesquisas Espaciais (INPE)</affiliation>
		<electronicmailaddress>anaclaudia.ps.cruz@gmail.com</electronicmailaddress>
		<electronicmailaddress>patricia.barreto@inpe.br</electronicmailaddress>
		<editor>Santos, Walter Abrahão dos,</editor>
		<editor>Rodrigues, Italo Pinto,</editor>
		<editor>Lima, Jeanne Samara dos Santos,</editor>
		<editor>Rodrigues, Aline Castilho,</editor>
		<editor>Mateus, Dairo Antonio Cuellar,</editor>
		<editor>Moreira, Herbi Júnior Pereira,</editor>
		<editor>Barbosa, ivan Márcio,</editor>
		<editor>Tenório, Plínio Ivo Gama,</editor>
		<editor>Toledo, Rafael Cardoso,</editor>
		<editor>Pereira, Yuri Matheus Dias,</editor>
		<conferencename>Workshop em Engenharia e Tecnologia Espaciais, 9 (WETE)</conferencename>
		<conferencelocation>São José dos Campos</conferencelocation>
		<date>15-16 ago. 2018</date>
		<publisher>Instituto Nacional de Pesquisas Espaciais (INPE)</publisher>
		<publisheraddress>São José dos Campos</publisheraddress>
		<booktitle>Anais</booktitle>
		<organization>Instituto Nacional de Pesquisas Espaciais (INPE)</organization>
		<transferableflag>1</transferableflag>
		<keywords>Energy Surfaces, van der Waals interactions, geometry optimization, SAPT.</keywords>
		<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.</abstract>
		<area>ETE</area>
		<type>Ciência e Tecnologia de Materiais e Controle</type>
		<language>pt</language>
		<targetfile>23 - [Artigo] Ana Claudia Pinheiro da Silva Cruz.pdf</targetfile>
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