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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Dependence of electronic structure of g-C3N4 on the layer number of its nanosheets: A study by Raman spectroscopy coupled with first-principles calculationsJiang, Jizhou ; Ou-yang, Lei ; Zhu, Lihua ; Zheng, Anmin ; Zou, Jing ; Yi, Xianfeng ; Tang, HeqingCarbon (New York), 2014-12, Vol.80, p.213-221 [Periódico revisado por pares]Kidlington: Elsevier LtdTexto completo disponível |
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2 |
Material Type: Artigo
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Hydrogen bonding at the water surface revealed by isotopic dilution spectroscopySTIOPKIN, Igor V ; WEERAMAN, Champika ; PIENIAZEK, Piotr A ; SHALHOUT, Fadel Y ; SKINNER, James L ; BENDERSKII, Alexander VNature (London), 2011-06, Vol.474 (7350), p.192-195 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
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3 |
Material Type: Artigo
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Investigation of structural and photoluminescence properties of gas and metal ions doped zinc oxide single crystalsKennedy, J. ; Murmu, P.P. ; Manikandan, E. ; Lee, S.Y.Journal of alloys and compounds, 2014-12, Vol.616, p.614-617 [Periódico revisado por pares]Kidlington: Elsevier B.VTexto completo disponível |
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4 |
Material Type: Artigo
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A mixed-space approach to first-principles calculations of phonon frequencies for polar materialsWang, Y ; Wang, J J ; Wang, W Y ; Mei, Z G ; Shang, S L ; Chen, L Q ; Liu, Z KJournal of physics. Condensed matter, 2010-05, Vol.22 (20), p.202201-202201 [Periódico revisado por pares]Bristol: IOP PublishingTexto completo disponível |
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5 |
Material Type: Artigo
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Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron–phonon coupling and zero-point motion correction to the gap between ABINIT and QE/YamboPoncé, S. ; Antonius, G. ; Boulanger, P. ; Cannuccia, E. ; Marini, A. ; Côté, M. ; Gonze, X.Computational materials science, 2014-02, Vol.83, p.341-348 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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6 |
Material Type: Artigo
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First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxidesWojde, Jacek C ; Hermet, Patrick ; Ljungberg, Mathias P ; Ghosez, Philippe ; Íñiguez, JorgeJournal of physics. Condensed matter, 2013-07, Vol.25 (30), p.305401-305401 [Periódico revisado por pares]Bristol: IOP PublishingTexto completo disponível |
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7 |
Material Type: Artigo
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First-principles thermodynamics from phonon and Debye model: Application to Ni and Ni3AlSHANG, Shun-Li ; YI WANG ; KIM, Dongeung ; LIU, Zi-KuiComputational materials science, 2010-02, Vol.47 (4), p.1040-1048 [Periódico revisado por pares]Amsterdam: ElsevierTexto completo disponível |
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8 |
Material Type: Artigo
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Elastic and electronic properties of Pbca-BN: First-principles calculationsFan, Qingyang ; Wei, Qun ; Yan, Haiyan ; Zhang, Meiguang ; Zhang, Zixia ; Zhang, Junqin ; Zhang, DongyunComputational materials science, 2014-04, Vol.85, p.80-87 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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9 |
Material Type: Artigo
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Thermal transport in monolayer graphene oxide: Atomistic insights into phonon engineering through surface chemistryLin, Shangchao ; Buehler, Markus J.Carbon (New York), 2014-10, Vol.77, p.351-359 [Periódico revisado por pares]Kidlington: Elsevier LtdTexto completo disponível |
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10 |
Material Type: Artigo
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Duality and unified analysis of discrete approximations in structural dynamics and wave propagation: Comparison of p-method finite elements with k-method NURBSHughes, T.J.R. ; Reali, A. ; Sangalli, G.Computer methods in applied mechanics and engineering, 2008-09, Vol.197 (49), p.4104-4124 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |