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http://acervodigital.unesp.br/handle/11449/130185
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DC Field | Value | Language |
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dc.contributor.author | Nacbar, Denis Rafael | - |
dc.contributor.author | Ribeiro, Allan Victor | - |
dc.contributor.author | Bruno-Alfonso, Alexys | - |
dc.date.accessioned | 2015-11-03T15:30:01Z | - |
dc.date.accessioned | 2016-10-25T21:18:40Z | - |
dc.date.available | 2015-11-03T15:30:01Z | - |
dc.date.available | 2016-10-25T21:18:40Z | - |
dc.date.issued | 2014-11-01 | - |
dc.identifier | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392014000600015&lng=en&nrm=iso&tlng=en | - |
dc.identifier.citation | Materials Research-ibero-american Journal Of Materials. Sao Carlos: Univ Fed Sao Carlos, Dept Engenharia Materials, v. 17, n. 6, p. 1474-1476, 2014. | - |
dc.identifier.issn | 1516-1439 | - |
dc.identifier.uri | http://hdl.handle.net/11449/130185 | - |
dc.identifier.uri | http://acervodigital.unesp.br/handle/11449/130185 | - |
dc.description.abstract | It is shown that the standard sp(n) hybrid orbitals are orthogonal orbitals that minimize the total quadratic spread. This is done in a concise way that may improve the understanding of hybrid orbitals. The fact that maximally localized Wannier functions of crystalline materials may resemble hybrid orbitals is discussed. | en |
dc.description.sponsorship | Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) | - |
dc.description.sponsorship | Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP) | - |
dc.format.extent | 1474-1476 | - |
dc.language.iso | eng | - |
dc.publisher | Univ Fed Sao Carlos, Dept Engenharia Materials | - |
dc.source | Web of Science | - |
dc.subject | Hybrid orbitals | en |
dc.subject | Localization | en |
dc.subject | Wannier functions | en |
dc.title | A simple geometrical path towards hybrid orbitals | en |
dc.type | outro | - |
dc.contributor.institution | Inst Fed Educ Ciencia &Tecnol Sao Paulo IFSP | - |
dc.contributor.institution | Universidade Estadual Paulista (UNESP) | - |
dc.description.affiliation | Inst Fed Educ Ciencia &Tecnol Sao Paulo IFSP, BR-12929600 Braganca Paulista, SP, Brazil | - |
dc.description.affiliation | Univ Estadual Paulista, Programa Posgrad Ciencia &Tecnol Mat POSMAT, BR-17033360 Bauru, SP, Brazil | - |
dc.description.affiliation | Inst Fed Educ Ciencia &Tecnol Sao Paulo IFSP, BR-16201407 Birigui, SP, Brazil | - |
dc.description.affiliation | Univ Estadual Paulista, Fac Ciencias, Dept Matemat, BR-17033360 Bauru, SP, Brazil | - |
dc.description.affiliationUnesp | Univ Estadual Paulista, Programa Posgrad Ciencia &Tecnol Mat POSMAT, BR-17033360 Bauru, SP, Brazil | - |
dc.description.affiliationUnesp | Univ Estadual Paulista, Fac Ciencias, Dept Matemat, BR-17033360 Bauru, SP, Brazil | - |
dc.identifier.doi | http://dx.doi.org/10.1590/1516-1439.291014 | - |
dc.identifier.scielo | S1516-14392014000600015 | - |
dc.identifier.wos | WOS:000349766900014 | - |
dc.rights.accessRights | Acesso aberto | - |
dc.identifier.file | S1516-14392014000600015.pdf | - |
dc.relation.ispartof | Materials Research-ibero-american Journal Of Materials | - |
Appears in Collections: | Artigos, TCCs, Teses e Dissertações da Unesp |
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