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http://acervodigital.unesp.br/handle/11449/8749Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | de Macedo, Luiz Guilherme M. | - |
| dc.contributor.author | Oliveira, Cibele A. | - |
| dc.contributor.author | Gomes, Jose S. | - |
| dc.contributor.author | Alves, Claudio Nahum | - |
| dc.contributor.author | Souza, Aguinaldo Robinson de | - |
| dc.contributor.author | Pimentel, Andre S. | - |
| dc.contributor.author | Gargano, Ricardo | - |
| dc.date.accessioned | 2014-05-20T13:26:55Z | - |
| dc.date.accessioned | 2016-10-25T16:46:58Z | - |
| dc.date.available | 2014-05-20T13:26:55Z | - |
| dc.date.available | 2016-10-25T16:46:58Z | - |
| dc.date.issued | 2011-01-01 | - |
| dc.identifier | http://dx.doi.org/10.1166/jctn.2011.1655 | - |
| dc.identifier.citation | Journal of Computational and Theoretical Nanoscience. Valencia: Amer Scientific Publishers, v. 8, n. 1, p. 38-42, 2011. | - |
| dc.identifier.issn | 1546-1955 | - |
| dc.identifier.uri | http://hdl.handle.net/11449/8749 | - |
| dc.identifier.uri | http://acervodigital.unesp.br/handle/11449/8749 | - |
| dc.description.abstract | The dissociation energy of HgO obtained through all electron 4-component DFT calculations shows good agreement with experimental data, opposing some high level calculations from literature. It suggests that the reaction Hg + BrO -> HgO + Br is feasible to take place under atmospheric conditions. | en |
| dc.description.sponsorship | Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) | - |
| dc.description.sponsorship | Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) | - |
| dc.format.extent | 38-42 | - |
| dc.language.iso | eng | - |
| dc.publisher | Amer Scientific Publishers | - |
| dc.source | Web of Science | - |
| dc.subject | Mercury | en |
| dc.subject | Atmospheric Chemistry | en |
| dc.subject | 4-Component Calculations | en |
| dc.subject | Rovibrational Spectroscopic Constants | en |
| dc.title | Fully Relativistic 4-Components DFT Investigation on Bonding and Dissociation Energy of HgO | en |
| dc.type | outro | - |
| dc.contributor.institution | Universidade Federal do Pará (UFPA) | - |
| dc.contributor.institution | Fed Univ Para | - |
| dc.contributor.institution | Universidade Estadual Paulista (UNESP) | - |
| dc.contributor.institution | Pontifícia Universidade Católica do Rio de Janeiro (PUC-Rio) | - |
| dc.contributor.institution | Universidade de Brasília (UnB) | - |
| dc.description.affiliation | Fed Univ Para UFPA, Inst Ciencias Biol, Dept Biotecnol, BR-66075110 Belem, PA, Brazil | - |
| dc.description.affiliation | Fed Univ Para, Inst Ciencias Exatas & Nat, Fac Quim, BR-66075110 Belem, PA, Brazil | - |
| dc.description.affiliation | Univ Estadual Paulista UNESP, Dept Quim, Lab Simulacao Computac, BR-17033360 Bauru, SP, Brazil | - |
| dc.description.affiliation | Pontificia Univ Catolica Rio de Janeiro PUC, Dept Quim, BR-22453900 Rio de Janeiro, Brazil | - |
| dc.description.affiliation | Universidade de Brasilia (UnB) UnB, Inst Fis, BR-70919970 Brasilia, DF, Brazil | - |
| dc.description.affiliationUnesp | Univ Estadual Paulista UNESP, Dept Quim, Lab Simulacao Computac, BR-17033360 Bauru, SP, Brazil | - |
| dc.description.sponsorshipId | FAPESP: 06/54976-5 | - |
| dc.description.sponsorshipId | CNPq: 475556/2009-7 | - |
| dc.identifier.doi | 10.1166/jctn.2011.1655 | - |
| dc.identifier.wos | WOS:000289698000007 | - |
| dc.rights.accessRights | Acesso restrito | - |
| dc.relation.ispartof | Journal of Computational and Theoretical Nanoscience | - |
| Appears in Collections: | Artigos, TCCs, Teses e Dissertações da Unesp | |
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