Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Molecular simulations of cement based materials a comparison between first principles and classical force field calculationsSylvia M Mutisya James Moraes de Almeida; Caetano Rodrigues MirandaComputational Materials Science Amsterdam v. 138, p. 392-402, out. 2017Amsterdam 2017Item não circula. Consulte sua biblioteca.(Acessar) |
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2 |
Material Type: Artigo
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Hosting of 'LA' POT. 3+' guest ions in type-I 'GE' clathrates a first-principles characterization for thermoelectric applicationsRobert L. Gonzalez-Romero Marcos A Avila; Alex Antonelli; Caetano Rodrigues MirandaComputational Materials Science Amsterdam v. 122, p. 46-56, set. 2016Amsterdam 2016Item não circula. Consulte sua biblioteca.(Acessar) |
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3 |
Material Type: Artigo
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Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experimentRafael L. H Freire Mateus G Masteghin; Caetano Rodrigues Miranda; Juarez Lopes Ferreira da Silva; Marcelo O OrlandiComputational Materials Science Amsterdam v. 170, p. 109160, 2019Amsterdam 2019Localização: IQSC - Inst. Química de São Carlos (P18175 )(Acessar) |
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4 |
Material Type: Artigo
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The spin s=7/2 FCC ferromagnet comparison between cluster variation method and Monte Carlo calculationsCláudio Geraldo Schön 1965- Gerhard IndenComputational Materials Science Amsterdam v. 20, p. 98-106, 2001Amsterdam 2001Item não circula. Consulte sua biblioteca.(Acessar) |
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5 |
Material Type: Artigo
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Ab initio studies of the 'Si IND.1-X' 'Ge IND.X' alloy and its intrinsic defectsP Venezuela Antonio Jose Roque da Silva; Cesar da Silva; G. M Dalpian (Gustavo Martini); Adalberto FazzioComputational Materials Science Amsterdam v. 22, n. 1-2, p. 62-66, 2001Amsterdam 2001Item não circula. Consulte sua biblioteca.(Acessar) |
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6 |
Material Type: Artigo
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Influence of surface degrees of freedom on the adsorption of Ge ad-atoms on Si(100)G. M. Dalpian (Gustavo Martini) Adalberto Fazzio; Antonio Jose Roque da SilvaComputational Materials Science Amsterdam v. 22, n. 1-2, p. 19-23, 2001Amsterdam 2001Acesso online |
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7 |
Material Type: Artigo
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Nickel impurities in diamond a FP-LAPW investigationRolando Larico L. V. C Assali (Lucy Vitória Credidio); Wanda Valle Marcondes Machado; João Francisco Justo Filho 1966-Computational Materials Science v. 30, n. 1-2, p. 62-66, 2004Amsterdam 2004Acesso online |
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8 |
Material Type: Artigo
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Structural and electronic properties of Ti impurities in SiC an ab initio investigationK O Barbosa L. V. C Assali (Lucy Vitória Credidio); Wanda Valle Marcondes Machado; João Francisco Justo Filho 1966-Computational Materials Science AmsterdamAmsterdam 2004Acesso online |
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9 |
Material Type: Artigo
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Breaking of gold nanowiresEdison Z da Silva Antonio Jose Roque da Silva; Adalberto FazzioComputational Materials Science v. 30, n. 1-2, p. 73-76, 2004Amsterdam 2004Acesso online |
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10 |
Material Type: Artigo
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Ab initio investigations on the dislocation core properties in zinc-blende semiconductorsRicardo W. Nunes L. V. C Assali (Lucy Vitória Credidio); João Francisco Justo Filho 1966-Computational Materials Science v. 31, n. 1-2, p. 67-72, 2004Amsterdam 2004Acesso online |