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1. Identity statement
Reference TypeConference Paper (Conference Proceedings)
Sitemtc-m21d.sid.inpe.br
Holder Codeisadg {BR SPINPE} ibi 8JMKD3MGPCW/3DT298S
Identifier8JMKD3MGP3W34T/488FCK8
Repositorysid.inpe.br/mtc-m21d/2022/12.21.11.25
Last Update2022:12.21.11.25.42 (UTC) simone
Metadata Repositorysid.inpe.br/mtc-m21d/2022/12.21.11.25.42
Metadata Last Update2023:01.02.17.31.50 (UTC) administrator
Secondary KeyINPE--PRE/
Citation KeyHelmeisterBarrAlbe:2022:StHaC2
TitleStudy of the halon C2BrCl2F3
Year2022
Access Date2024, May 14
Secondary TypePRE CN
Number of Files1
Size256 KiB
2. Context
Author1 Helmeister, Euclides de Oliveira
2 Barreto, Patrícia Regina Pereira
3 Albernaz, Alessandra
Resume Identifier1
2 8JMKD3MGP5W/3C9JJ2S
Group1 CMS-ETES-DIPGR-INPE-MCTI-GOV-BR
2 COPDT-CGIP-INPE-MCTI-GOV-BR
Affiliation1 Instituto Nacional de Pesquisas Espaciais (INPE)
2 Instituto Nacional de Pesquisas Espaciais (INPE)
3 Universidade de Brasília (UnB)
Author e-Mail Address1 henrique.euclides@inpe.br
2 prpbarreto@gmail.com
Conference NameSimpósio de Estrutura Eletrônica e Dinâmica Molecular (SEEDMOL), 9
Conference LocationBrasília, DF
Date07-11 nov. 2022
Book TitleAnais
History (UTC)2022-12-21 11:29:52 :: simone -> administrator :: 2022
2023-01-02 17:31:50 :: administrator -> simone :: 2022
3. Content and structure
Is the master or a copy?is the master
Content Stagecompleted
Transferable1
Content TypeExternal Contribution
Version Typepublisher
Keywordshalons
reaction rate
APUAMA
bromodichlorotrifluorethane
AbstractIn this work, we present the rate constant and the thermodynamic properties of the halon bromodichlorotrifluorethane (C2BrCl2F3) reacting with dihydrogen (H2), where we found six geometry variations for the singlet state (1A). The optimized geometries and frequencies were determined at B3LYP/6-311g(2d,d,p) internal to CBS-QB3 methods. The reaction rates are calculated using the APUAMA code, applying the tunneling correction of Wigner, Eckart and small curvature transmission coefficient (SCT), the reaction rate for (V1) C2BrCl2F3 + H2 is presented in the Arrhenius form as k(V1)(cm3mol−1s −1) = 1.46×106 T 2.45 exp(-117.42 kcal mol−1/RT).
AreaFISPLASMA
Arrangement 1urlib.net > BDMCI > Fonds > Produção pgr ATUAIS > CMS > Study of the...
Arrangement 2urlib.net > BDMCI > Fonds > Produção a partir de 2021 > CGCE > Study of the...
Arrangement 3urlib.net > BDMCI > Fonds > Produção a partir de 2021 > CGIP > Study of the...
doc Directory Contentaccess
source Directory Contentthere are no files
agreement Directory Content
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4. Conditions of access and use
data URLhttp://mtc-m21d.sid.inpe.br/ibi/8JMKD3MGP3W34T/488FCK8
zipped data URLhttp://mtc-m21d.sid.inpe.br/zip/8JMKD3MGP3W34T/488FCK8
Languageen
Target FileBarreto_seedmol_2.pdf
User Groupsimone
Reader Groupadministrator
simone
Visibilityshown
Update Permissionnot transferred
5. Allied materials
Mirror Repositoryurlib.net/www/2021/06.04.03.40.25
Next Higher Units8JMKD3MGPCW/3F358GL
8JMKD3MGPCW/46KTFK8
8JMKD3MGPCW/46KUES5
Citing Item Listsid.inpe.br/mtc-m21/2012/07.13.14.57.42 2
sid.inpe.br/bibdigital/2022/04.03.23.11 2
Host Collectionurlib.net/www/2021/06.04.03.40
6. Notes
Empty Fieldsarchivingpolicy archivist callnumber copyholder copyright creatorhistory descriptionlevel dissemination doi e-mailaddress edition editor format isbn issn label lineage mark nextedition notes numberofvolumes orcid organization pages parameterlist parentrepositories previousedition previouslowerunit progress project publisher publisheraddress readpermission rightsholder schedulinginformation secondarydate secondarymark serieseditor session shorttitle sponsor subject tertiarymark tertiarytype type url volume
7. Description control
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