| 1. Identity statement | ||||
| Reference Type | Conference Paper (Conference Proceedings) | |||
| Site | mtc-m21d.sid.inpe.br | |||
| Holder Code | isadg {BR SPINPE} ibi 8JMKD3MGPCW/3DT298S | |||
| Identifier | 8JMKD3MGP3W34T/488FCPL | |||
| Repository | sid.inpe.br/mtc-m21d/2022/12.21.11.27 | |||
| Last Update | 2022:12.21.11.27.12 (UTC) simone | |||
| Metadata Repository | sid.inpe.br/mtc-m21d/2022/12.21.11.27.12 | |||
| Metadata Last Update | 2023:01.02.17.31.50 (UTC) administrator | |||
| Secondary Key | INPE--PRE/ | |||
| Citation Key | BarretoAlbeCorr:2022:SeViCo | |||
| Title | Second Virial Coefficient for the Cl2 ...Cl2 System  | |||
| Year | 2022 | |||
| Access Date | 2024, May 15 | |||
| Secondary Type | PRE CN | |||
| Number of Files | 1 | |||
| Size | 849 KiB | |||
| 2. Context | ||||
| Author | 1 Barreto, Patrícia Regina Pereira 2 Albernaz, Alessandra 3 Correa, Eberth | |||
| Resume Identifier | 1 8JMKD3MGP5W/3C9JJ2S | |||
| Group | 1 COPDT-CGIP-INPE-MCTI-GOV-BR | |||
| Affiliation | 1 Instituto Nacional de Pesquisas Espaciais (INPE) 2 Universidade de Brasília (UnB) 3 Universidade de Brasília (UnB) | |||
| Author e-Mail Address | 1 prpbarreto@gmail.com | |||
| Conference Name | Simpósio de Estrutura Eletrônica e Dinâmica Molecular (SEEDMOL), 9 | |||
| Conference Location | Brasília, DF | |||
| Date | 07-11 nov. 2022 | |||
| Book Title | Anais | |||
| History (UTC) | 2022-12-21 11:27:12 :: simone -> administrator :: 2023-01-02 17:31:50 :: administrator -> simone :: 2022 | |||
| 3. Content and structure | ||||
| Is the master or a copy? | is the master | |||
| Content Stage | completed | |||
| Transferable | 1 | |||
| Content Type | External Contribution | |||
| Version Type | publisher | |||
| Keywords | second virial coefficient Cl2 ... Cl2 potential energy surface | |||
| Abstract | The analytical representation of intermolecular interactions combines dynamical and structural viewpoints, utilizing a spherical harmonics expansion based on high-level ab initio generated stereodirected configurations. The potential energy surface of the Cl2⋯Cl2 system is built by a number of selected cuts (leading configurations); the best fits of their dependence on the intermolecular distance are phenomenologically represented by the Pirani et al. potential functions. The quality of the representation is validated by accurate calculations of a property of the gaseous mixture, the second virial coefficient, in a range of temperatures, with good agreement with reference data. | |||
| Area | FISPLASMA | |||
| Arrangement | urlib.net > BDMCI > Fonds > Produção a partir de 2021 > CGIP > Second Virial Coefficient... | |||
| doc Directory Content | access | |||
| source Directory Content | there are no files | |||
| agreement Directory Content |
| |||
| 4. Conditions of access and use | ||||
| data URL | http://urlib.net/ibi/8JMKD3MGP3W34T/488FCPL | |||
| zipped data URL | http://urlib.net/zip/8JMKD3MGP3W34T/488FCPL | |||
| Language | en | |||
| Target File | Barreto_seedmol_3.pdf | |||
| User Group | simone | |||
| Visibility | shown | |||
| Update Permission | not transferred | |||
| 5. Allied materials | ||||
| Mirror Repository | urlib.net/www/2021/06.04.03.40.25 | |||
| Next Higher Units | 8JMKD3MGPCW/46KUES5 | |||
| Citing Item List | sid.inpe.br/bibdigital/2022/04.03.23.11 3 sid.inpe.br/mtc-m21/2012/07.13.14.57.42 1 | |||
| Host Collection | urlib.net/www/2021/06.04.03.40 | |||
| 6. Notes | ||||
| Empty Fields | archivingpolicy 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 readergroup readpermission rightsholder schedulinginformation secondarydate secondarymark serieseditor session shorttitle sponsor subject tertiarymark tertiarytype type url volume | |||
| 7. Description control | ||||
| e-Mail (login) | simone | |||
| update | ||||