| dc.date | 2016 | |
| dc.date | 2016-12-06T17:44:23Z | |
| dc.date | 2016-12-06T17:44:23Z | |
| dc.date.accessioned | 2018-03-29T02:01:10Z | |
| dc.date.available | 2018-03-29T02:01:10Z | |
| dc.identifier | | |
| dc.identifier | Journal Of Chemical Physics. American Institute Of Physics Inc., v. 144, p. , 2016. | |
| dc.identifier | 00219606 | |
| dc.identifier | 10.1063/1.4944615 | |
| dc.identifier | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84963726705&partnerID=40&md5=51d0a6784cb10df00d29452db9dd2d7d | |
| dc.identifier | http://repositorio.unicamp.br/jspui/handle/REPOSIP/319565 | |
| dc.identifier | 2-s2.0-84963726705 | |
| dc.identifier.uri | http://repositorioslatinoamericanos.uchile.cl/handle/2250/1310333 | |
| dc.description | Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) | |
| dc.description | Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) | |
| dc.description | We report results from a joint experimental and theoretical investigation into electron scattering from the important industrial species furfural (C5H4O2). Specifically, differential cross sections (DCSs) have been measured and calculated for the electron-impact excitation of the electronic states of C5H4O2. The measurements were carried out at energies in the range 20-40 eV, and for scattered-electron angles between 10°and 90°. The energy resolution of those experiments was typically ∼80 meV. Corresponding Schwinger multichannel method with pseudo-potential calculations, for energies between 6-50 eV and with and without Born-closure, were also performed for a sub-set of the excited electronic-states that were accessed in the measurements. Those calculations were undertaken at the static exchange plus polarisation-level using a minimum orbital basis for single configuration interaction (MOB-SCI) approach. Agreement between the measured and calculated DCSs was qualitatively quite good, although to obtain quantitative accord, the theory would need to incorporate even more channels into the MOB-SCI. The role of multichannel coupling on the computed electronic-state DCSs is also explored in some detail. © 2016 AIP Publishing LLC. | |
| dc.description | 144 | |
| dc.description | | |
| dc.description | | |
| dc.description | | |
| dc.description | ARC, São Paulo Research Foundation | |
| dc.description | CNPq, São Paulo Research Foundation | |
| dc.description | COST, São Paulo Research Foundation | |
| dc.description | FAPESP, São Paulo Research Foundation | |
| dc.description | Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) | |
| dc.description | Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) | |
| dc.description | | |
| dc.description | | |
| dc.language | en | |
| dc.publisher | American Institute of Physics Inc. | |
| dc.relation | Journal of Chemical Physics | |
| dc.rights | fechado | |
| dc.source | Scopus | |
| dc.title | Theoretical And Experimental Differential Cross Sections For Electron Impact Excitation Of The Electronic Bands Of Furfural | |
| dc.type | Artículos de revistas | |
