| 1. Identity statement | ||||
| Reference Type | Conference Paper (Conference Proceedings) | |||
| Site | mtc-m21c.sid.inpe.br | |||
| Holder Code | isadg {BR SPINPE} ibi 8JMKD3MGPCW/3DT298S | |||
| Identifier | 8JMKD3MGP3W34R/3RJM8QB | |||
| Repository | sid.inpe.br/mtc-m21c/2018/08.06.13.36 (restricted access) | |||
| Last Update | 2018:08.06.13.36.06 (UTC) simone | |||
| Metadata Repository | sid.inpe.br/mtc-m21c/2018/08.06.13.36.06 | |||
| Metadata Last Update | 2019:01.14.17.06.32 (UTC) administrator | |||
| Secondary Key | INPE--PRE/ | |||
| DOI | 10.1007/978-3-319-95174-4_46 | |||
| ISBN | 978-331995173-7 | |||
| ISSN | 03029743 | |||
| Citation Key | BarretoAAFGLPP:2018:PoEnSu | |||
| Title | Potential energy surface for the interaction of helium with the chiral molecule propylene oxide  | |||
| Year | 2018 | |||
| Access Date | 2024, May 15 | |||
| Secondary Type | PRE CI | |||
| Number of Files | 1 | |||
| Size | 1771 KiB | |||
| 2. Context | ||||
| Author | 1 Barreto, Patrícia Regina Pereira 2 Albernaz, Alessandra F. 3 Aquilanti, Vincenzo 4 Faginas-Lago, Noelia 5 Grossi, Gaia 6 Lombardi, Andrea 7 Pallazzetti, Federico 8 Pirani, Fernando | |||
| Resume Identifier | 1 8JMKD3MGP5W/3C9JJ2S | |||
| Group | 1 LABAP-COCTE-INPE-MCTIC-GOV-BR | |||
| Affiliation | 1 Instituto Nacional de Pesquisas Espaciais (INPE) 2 Universidade de Brasília (UnB) 3 Università degli Studi di Perugia 4 Università degli Studi di Perugia 5 Università degli Studi di Perugia 6 Università degli Studi di Perugia 7 Università degli Studi di Perugia 8 Università degli Studi di Perugia | |||
| Author e-Mail Address | 1 patricia.barreto@inpe.br 2 3 4 5 6 7 federico.palazzetti@unipg.it | |||
| Editor | Gervasi, O. Murgante, B. Misra, S. Stankova, E. Torre, C. M. Rocha, A. M. A. C. Taniar, D. Apduhan, B. O. Tarantino, E. Ryu, Y. | |||
| Conference Name | International Conference on Computational Science and its Applications | |||
| Conference Location | Melbourne, Australia | |||
| Date | 02-05 July | |||
| Publisher | Springer | |||
| Publisher City | Berlin | |||
| Pages | 593-604 | |||
| Book Title | Proceedings | |||
| History (UTC) | 2018-08-06 13:36:53 :: simone -> administrator :: 2018 2019-01-14 17:06:32 :: administrator -> simone :: 2018 | |||
| 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 | van der Waals cluster Chiral molecule Quantum chemistry | |||
| Abstract | The discovery of propylene oxide in the interstellar medium has raised considerable interest about this molecule, which represents one of the simplest cases of chiral systems. In this paper, we present a quantum chemical study and a phenomenological approach, through the Pirani potential function, of the system He propylene oxide in fourteen different configurations. Comparison of the optimized molecular structure at various level of theory, as well as a discussion on the two approaches is reported. The analytical form of the Pirani potential function permits future applications of classical simulations of molecular-beam collision experiments, especially to those related to chirality discrimination phenomena, in progress in our laboratory. | |||
| Area | FISPLASMA | |||
| Arrangement | urlib.net > BDMCI > Fonds > Produção anterior à 2021 > LABAP > Potential energy surface... | |||
| doc Directory Content | access | |||
| source Directory Content | there are no files | |||
| agreement Directory Content |
| |||
| 4. Conditions of access and use | ||||
| Language | en | |||
| Target File | barreto_potential.pdf | |||
| User Group | simone | |||
| Reader Group | administrator simone | |||
| Visibility | shown | |||
| Read Permission | deny from all and allow from 150.163 | |||
| Update Permission | not transferred | |||
| 5. Allied materials | ||||
| Next Higher Units | 8JMKD3MGPCW/3ET2RFS | |||
| Citing Item List | sid.inpe.br/mtc-m21/2012/07.13.14.57.42 2 sid.inpe.br/bibdigital/2013/09.25.21.49 1 | |||
| Host Collection | urlib.net/www/2017/11.22.19.04 | |||
| 6. Notes | ||||
| Empty Fields | archivingpolicy archivist callnumber copyholder copyright creatorhistory descriptionlevel dissemination e-mailaddress edition format label lineage mark mirrorrepository nextedition notes numberofvolumes orcid organization parameterlist parentrepositories previousedition previouslowerunit progress project rightsholder schedulinginformation secondarydate secondarymark serieseditor session shorttitle sponsor subject tertiarymark tertiarytype type url volume | |||
| 7. Description control | ||||
| e-Mail (login) | simone | |||
| update | ||||