| 1. Identity statement | |
| Reference Type | Conference Paper (Conference Proceedings) |
| Site | mtc-m16d.sid.inpe.br |
| Holder Code | isadg {BR SPINPE} ibi 8JMKD3MGPCW/3DT298S |
| Identifier | 8JMKD3MGPDW34R/3QAN3UL |
| Repository | sid.inpe.br/mtc-m16d/2018/01.03.11.18 |
| Last Update | 2018:01.03.11.18.00 (UTC) administrator |
| Metadata Repository | sid.inpe.br/mtc-m16d/2018/01.03.11.18.01 |
| Metadata Last Update | 2018:06.05.04.12.05 (UTC) administrator |
| ISSN | 2177-3114 |
| Citation Key | EuclidesBarr:2017:SoToRe |
| Title | APUAMA: a software tool for reaction rate calculations  |
| Format | On-line. |
| Year | 2017 |
| Access Date | 2024, May 13 |
| Secondary Type | cn |
| Number of Files | 1 |
| Size | 697 KiB |
| 2. Context | |
| Author | 1 Euclides, Henrique O. 2 Barreto, Patrícia Regina Pereira |
| Resume Identifier | 1 2 8JMKD3MGP5W/3C9JJ2S |
| Group | 1 2 LABAP-COCTE-INPE-MCTIC-GOV-BR |
| Affiliation | 1 2 Instituto Nacional de Pesquisas Espaciais (INPE) |
| Author e-Mail Address | 1 henriqueuclides@gmail.com 2 patricia.barreto@inpe.br |
| Editor | Cerqueira, Christopher Shneider Bürger, Eduardo Escobar Yassuda, Irineu dos Santos Rodrigues, Italo Pinto Lima, Jeanne Samara dos Santos Oliveira, Mônica Elizabeth Rocha de Tenório, Plínio Ivo Gama |
| Conference Name | Workshop em Engenharia e Tecnologias Espaciais, 8 (WETE) |
| Conference Location | São José dos Campos |
| Date | 9-10 ago. 2017 |
| Publisher | Instituto Nacional de Pesquisas Espaciais (INPE) |
| Publisher City | São José dos Campos |
| Book Title | Anais |
| Organization | Instituto Nacional de Pesquisas Espaciais (INPE) |
| History (UTC) | 2018-01-04 11:00:43 :: simone -> administrator :: 2017 2018-06-05 04:12:05 :: administrator -> simone :: 2017 |
| 3. Content and structure | |
| Is the master or a copy? | is the master |
| Content Stage | completed |
| Transferable | 1 |
| Keywords | APUAMA code Rate constant Quantum chemistry Rovibrational Levels Thermodynamic properties |
| Abstract | APUAMA is a free software designed to determine the reaction rate and thermodynamic properties of chemical species of a reagent system. With data from electronic structure calculations, the APUAMA determine the rate constant with tunneling correction, such as Wigner, Eckart and small curvature, and also, include the rovibrational level of diatomic molecules. The results are presented in the form of Arrhenius form, for the reaction rate, and the thermodynamic properties are written down in the polynomial form. The word APUAMA means fast in Tupi-Guarani Brazilian language, then the code calculates the reaction rate on a simple, intuitive graphic interface, the form fast and practical. As program output, there are several text files with tabulated information for rate constant, rovibrational levels, energy barriers and enthalpy of reaction, Arrhenius coefficient, and also, the option to the User save all graphics in BMP format. |
| Area | ETE |
| Type | Ciência e Tecnologia de Materiais e Controle |
| Arrangement 1 | urlib.net > BDMCI > Fonds > Produção anterior à 2021 > DIDPI > WETEs > 8º WETE > APUAMA: a software... |
| Arrangement 2 | urlib.net > BDMCI > Fonds > Produção anterior à 2021 > CGETE > 8º WETE > APUAMA: a software... |
| Arrangement 3 | urlib.net > BDMCI > Fonds > Produção anterior à 2021 > LABAP > APUAMA: a software... |
| doc Directory Content | access |
| source Directory Content | there are no files |
| agreement Directory Content | there are no files |
| 4. Conditions of access and use | |
| data URL | http://urlib.net/ibi/8JMKD3MGPDW34R/3QAN3UL |
| zipped data URL | http://urlib.net/zip/8JMKD3MGPDW34R/3QAN3UL |
| Language | en |
| Target File | 1_[ARTIGO] Henrique Euclides.pdf |
| User Group | simone |
| Reader Group | administrator simone wete@inpe.br |
| Visibility | shown |
| Copyright License | urlib.net/www/2012/11.12.15.19 |
| Rightsholder | originalauthor yes |
| Read Permission | allow from all |
| Update Permission | not transferred |
| 5. Allied materials | |
| Mirror Repository | urlib.net/www/2011/03.29.20.55 |
| Next Higher Units | 8JMKD3MGP3W34P/3R44MF2 8JMKD3MGPCW/3ET2RFS |
| Citing Item List | sid.inpe.br/mtc-m21b/2018/05.08.16.30 4 sid.inpe.br/bibdigital/2013/09.25.21.49 2 sid.inpe.br/mtc-m21/2012/07.13.14.57.42 1 |
| Host Collection | sid.inpe.br/mtc-m19@80/2009/08.21.17.02 |
| 6. Notes | |
| Empty Fields | archivingpolicy archivist callnumber contenttype copyholder creatorhistory descriptionlevel dissemination doi e-mailaddress edition isbn label lineage mark nextedition notes numberofvolumes orcid pages parameterlist parentrepositories previousedition previouslowerunit progress project schedulinginformation secondarydate secondarykey secondarymark serieseditor session shorttitle sponsor subject tertiarymark tertiarytype url versiontype volume |
| 7. Description control | |
| e-Mail (login) | simone |
| update | |