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1. Identity statement
Reference TypeConference Paper (Conference Proceedings)
Sitemtc-m21b.sid.inpe.br
Holder Codeisadg {BR SPINPE} ibi 8JMKD3MGPCW/3DT298S
Identifier8JMKD3MGP3W34P/3ME43PS
Repositorysid.inpe.br/mtc-m21b/2016/09.12.17.55   (restricted access)
Last Update2016:09.12.17.55.53 (UTC) simone
Metadata Repositorysid.inpe.br/mtc-m21b/2016/09.12.17.55.53
Metadata Last Update2021:03.29.22.38.12 (UTC) administrator
Secondary KeyINPE--PRE/
ISSN2177-3114
Citation KeyCruzBarr:2016:HXSyX
TitleStudy of the potential energy surface for the H2O ... HX system with X = H, F, and Cl atoms
FormatOn-line.
Year2016
Access Date2024, May 14
Secondary TypePRE CN
Number of Files1
Size1858 KiB
2. Context
Author1 Cruz, Ana Cláudia Pinheiro da Silva
2 Barreto, Patrícia Regina Pereira
Resume Identifier1
2 8JMKD3MGP5W/3C9JJ2S
Group1 CMS-ETES-SPG-INPE-MCTI-GOV-BR
2 LAP-CTE-INPE-MCTI-GOV-BR
Affiliation1 Instituto Nacional de Pesquisas Espaciais (INPE)
2 Instituto Nacional de Pesquisas Espaciais (INPE)
Author e-Mail Address1 anaclaudia.ps.cruz@gmail.com
2 patricia.barreto@inpe.br
EditorCerqueira, Christopher Shneider
Souza, Alain Giacobini de
Oliveira Junior, Eloy Martins de
Bertoldo Junior, Jorge
Yassuda, Irineu dos Santos
Lima, Jeanne Samara dos Santos
Morais, Marcelo Henrique Essado de
Oliveira, Mônica Elizabeth Rocha de
Gondo, Suely Mitsuko Hirakawa
Fornari, Celso Israel
Toledo, Rafael Cardoso
Fischer, Gustavo Alexandre Achilles
Conference NameWorkshop em Engenharia e Tecnologias Espaciais, 7 (WETE)
Conference LocationSão José dos Campos
Date23-25 ago. 2016
PublisherInstituto Nacional de Pesquisas Espaciais (INPE)
Publisher CitySão José dos Campos
Book TitleAnais
History (UTC)2016-09-12 18:29:17 :: simone -> administrator :: 2016
2017-01-09 13:59:30 :: administrator -> simone :: 2016
2017-02-17 14:55:19 :: simone -> administrator :: 2016
2021-03-29 22:38:12 :: administrator -> simone :: 2016
3. Content and structure
Is the master or a copy?is the master
Content Stagecompleted
Transferable1
KeywordsPotential Energy Surface
Van der Waals clusters
H2O...HX with X=hydrogen or halogens
Interaction Energy
AbstractThe H2O...HX systems were represented through hyperspherical harmonics expansion to calculate the potential energy surface (PES) of these interactions. With extensive ab initio calculations at the CCSD(T)/aug-cc-pVQZ level have been obtained the interaction energies. These analytical representations of the PES can be used in molecular dynamics, and are particularly suited for classical and quantum scattering studies. A minimal model representing the interaction of H2O with Hydrogen and Halogens atoms is also presented in this article.
AreaETES
Arrangement 1urlib.net > BDMCI > Fonds > Produção anterior à 2021 > LABAP > Study of the...
Arrangement 2urlib.net > BDMCI > Fonds > Produção pgr ATUAIS > CMS > Study of the...
doc Directory Contentaccess
source Directory Contentthere are no files
agreement Directory Content
agreement.html 12/09/2016 14:55 1.0 KiB 
4. Conditions of access and use
Languageen
Target File[WETE][2016] Ana Claudia.pdf
User Groupsimone
Reader Groupadministrator
simone
Visibilityshown
Read Permissiondeny from all and allow from 150.163
Update Permissionnot transferred
5. Allied materials
Mirror Repositoryurlib.net/www/2011/03.29.20.55
Next Higher Units8JMKD3MGPCW/3ET2RFS
8JMKD3MGPCW/3F358GL
Citing Item Listsid.inpe.br/bibdigital/2013/09.25.21.49 1
sid.inpe.br/mtc-m21/2012/07.13.14.57.42 1
Host Collectionsid.inpe.br/mtc-m21b/2013/09.26.14.25.20
6. Notes
Empty Fieldsarchivingpolicy archivist callnumber contenttype copyholder copyright creatorhistory descriptionlevel dissemination doi e-mailaddress edition isbn label lineage mark nextedition notes numberofvolumes orcid organization pages parameterlist parentrepositories previousedition previouslowerunit progress project rightsholder schedulinginformation secondarydate secondarymark serieseditor session shorttitle sponsor subject tertiarymark tertiarytype type url versiontype volume
7. Description control
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