| dc.contributor | Universidade Estadual Paulista (UNESP) | |
| dc.creator | Antunes, SRM | |
| dc.creator | Santos, J. D. | |
| dc.creator | Antunes, A. C. | |
| dc.creator | Longo, Elson | |
| dc.creator | Varela, José Arana | |
| dc.date | 2014-05-20T15:26:31Z | |
| dc.date | 2016-10-25T18:01:10Z | |
| dc.date | 2014-05-20T15:26:31Z | |
| dc.date | 2016-10-25T18:01:10Z | |
| dc.date | 1995-11-20 | |
| dc.date.accessioned | 2017-04-05T23:57:30Z | |
| dc.date.available | 2017-04-05T23:57:30Z | |
| dc.identifier | Theochem-Journal of Molecular Structure. Amsterdam: Elsevier B.V., v. 357, n. 1-2, p. 153-159, 1995. | |
| dc.identifier | 0166-1280 | |
| dc.identifier | http://hdl.handle.net/11449/36675 | |
| dc.identifier | http://acervodigital.unesp.br/handle/11449/36675 | |
| dc.identifier | 10.1016/0166-1280(95)04287-G | |
| dc.identifier | WOS:A1995TG35300018 | |
| dc.identifier | http://dx.doi.org/10.1016/0166-1280(95)04287-G | |
| dc.identifier.uri | http://repositorioslatinoamericanos.uchile.cl/handle/2250/880152 | |
| dc.description | An MNDO study has been carried out to analyze the decomposition process of the ethanol molecule on a SnO2 surface. A (SnO2)(7) (110) model has been selected to represent the surface. The decomposition process has been monitored by selection of a hydrogen-alpha-carbon distance of the ethanol molecule as reaction coordinate, This minimum energy pro file shows a maximum of 186 kJ mol(-1), and in the transition state there is a transfer of hydrogen-alpha-carbon to the SnO2 surface. There is also the interaction between the alcohol hydroxyls and the two oxygens of the oxide. | |
| dc.language | eng | |
| dc.publisher | Elsevier B.V. | |
| dc.relation | Theochem-Journal of Molecular Structure | |
| dc.rights | info:eu-repo/semantics/closedAccess | |
| dc.title | MNDO theoretical study of ethanol decomposition process on SnO2 surfaces | |
| dc.type | Otro | |
