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http://acervodigital.unesp.br/handle/11449/36675Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Antunes, SRM | - |
| dc.contributor.author | Santos, J. D. | - |
| dc.contributor.author | Antunes, A. C. | - |
| dc.contributor.author | Longo, Elson | - |
| dc.contributor.author | Varela, José Arana | - |
| dc.date.accessioned | 2014-05-20T15:26:31Z | - |
| dc.date.accessioned | 2016-10-25T18:01:10Z | - |
| dc.date.available | 2014-05-20T15:26:31Z | - |
| dc.date.available | 2016-10-25T18:01:10Z | - |
| dc.date.issued | 1995-11-20 | - |
| dc.identifier | http://dx.doi.org/10.1016/0166-1280(95)04287-G | - |
| dc.identifier.citation | Theochem-Journal of Molecular Structure. Amsterdam: Elsevier B.V., v. 357, n. 1-2, p. 153-159, 1995. | - |
| dc.identifier.issn | 0166-1280 | - |
| dc.identifier.uri | http://hdl.handle.net/11449/36675 | - |
| dc.identifier.uri | http://acervodigital.unesp.br/handle/11449/36675 | - |
| dc.description.abstract | 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. | en |
| dc.format.extent | 153-159 | - |
| dc.language.iso | eng | - |
| dc.publisher | Elsevier B.V. | - |
| dc.source | Web of Science | - |
| dc.title | MNDO theoretical study of ethanol decomposition process on SnO2 surfaces | en |
| dc.type | outro | - |
| dc.contributor.institution | Universidade Federal de São Carlos (UFSCar) | - |
| dc.contributor.institution | Universidade Estadual Paulista (UNESP) | - |
| dc.description.affiliation | UNIV FED SAO CARLOS,DEPT QUIM,BR-13565905 SAO CARLOS,BRAZIL | - |
| dc.description.affiliation | UNIV ESTADUAL PAULISTA,INST QUIM,BR-14800900 ARARAQUARA,SP,BRAZIL | - |
| dc.description.affiliationUnesp | UNIV ESTADUAL PAULISTA,INST QUIM,BR-14800900 ARARAQUARA,SP,BRAZIL | - |
| dc.identifier.doi | 10.1016/0166-1280(95)04287-G | - |
| dc.identifier.wos | WOS:A1995TG35300018 | - |
| dc.rights.accessRights | Acesso restrito | - |
| dc.relation.ispartof | Theochem-Journal of Molecular Structure | - |
| Appears in Collections: | Artigos, TCCs, Teses e Dissertações da Unesp | |
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