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| dc.contributor.author | Giri, K. | |
| dc.contributor.author | Lourderaj, U. | |
| dc.contributor.author | Rana, Subrata | |
| dc.contributor.author | González Sánchez, Lola | |
| dc.contributor.author | Martín Santa Daría, Alberto | |
| dc.contributor.author | Yurtsever, E. | |
| dc.contributor.author | Sathyamurthy, N. | |
| dc.contributor.author | Wester, Roland | |
| dc.contributor.author | Gianturco, Franco A. | |
| dc.date.accessioned | 2025-10-29T11:58:20Z | |
| dc.date.available | 2025-10-29T11:58:20Z | |
| dc.date.issued | 2025-10-28 | |
| dc.identifier.citation | K. Giri , U. Lourderaj , S. Rana , L. González-Sánchez , AM Santa Daría , E. Yurtsever , N. Sathyamurthy , R. Wester , FA Gianturco; Dinámica cuántica de aniones C 7 N − y C 10 H − en colisión con H 2 en condiciones de medio interés. J. química. Física. 28 de octubre de 2025; 163 (16): 164314. https://doi.org/10.1063/5.0292750 | es_ES |
| dc.identifier.uri | http://hdl.handle.net/10366/167544 | |
| dc.description.abstract | [EN]We present quantum calculations for two of the longest linear anions, recently detected in the interstellar environments: C7N− and C10H−, in collision with the most abundant neutral partner in the same environment: the H2 molecule. The interaction forces are obtained from accurate ab initio calculations for the two partners as rigid rotors, generating a dense grid of potential energy values in four dimensions. The potential energy surface is, in turn, fitted by using high-level neural network procedures, and multipolar expansion coefficients are obtained to provide input for calculations of the collision-induced rotational energy transfer processes at the temperatures of interstellar environments. Cross sections are used to generate state-to-state inelastic rate coefficients up to 50 K. The results for the cases of ortho- and para-H2 as collision partners are discussed and analyzed. | es_ES |
| dc.format.mimetype | application/pdf | |
| dc.language.iso | eng | es_ES |
| dc.publisher | AIP Publshing | es_ES |
| dc.subject | Astrochemistry | es_ES |
| dc.subject | Molecular dynamics | es_ES |
| dc.subject | Interstellar medium | es_ES |
| dc.subject | Inelastic scattering | es_ES |
| dc.title | Quantum dynamics of C7N− and C10H− anions in collision with H2 at interstellar medium conditions | es_ES |
| dc.type | info:eu-repo/semantics/article | es_ES |
| dc.relation.publishversion | https://doi.org/10.1063/5.0292750 | es_ES |
| dc.identifier.doi | 10.1063/5.0292750 | |
| dc.relation.projectID | MCIN/AEI/10.13039/MCIN/AEI/10.13039/501100011033/PID2023-147215NB-I00 | es_ES |
| dc.rights.accessRights | info:eu-repo/semantics/embargoedAccess | es_ES |
| dc.journal.title | The Journal of Chemical Physics | es_ES |
| dc.volume.number | 163 | es_ES |
| dc.page.initial | 164314 | es_ES |
| dc.type.hasVersion | info:eu-repo/semantics/publishedVersion | es_ES |
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