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Material Type: Artigo
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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculationsKühne, Thomas D. ; Iannuzzi, Marcella ; Del Ben, Mauro ; Rybkin, Vladimir V. ; Seewald, Patrick ; Stein, Frederick ; Laino, Teodoro ; Khaliullin, Rustam Z. ; Schütt, Ole ; Schiffmann, Florian ; Golze, Dorothea ; Wilhelm, Jan ; Chulkov, Sergey ; Bani-Hashemian, Mohammad Hossein ; Weber, Valéry ; Borštnik, Urban ; Taillefumier, Mathieu ; Jakobovits, Alice Shoshana ; Lazzaro, Alfio ; Pabst, Hans ; Müller, Tiziano ; Schade, Robert ; Guidon, Manuel ; Andermatt, Samuel ; Holmberg, Nico ; Schenter, Gregory K. ; Hehn, Anna ; Bussy, Augustin ; Belleflamme, Fabian ; Tabacchi, Gloria ; Glöß, Andreas ; Lass, Michael ; Bethune, Iain ; Mundy, Christopher J. ; Plessl, Christian ; Watkins, Matt ; VandeVondele, Joost ; Krack, Matthias ; Hutter, JürgThe Journal of chemical physics, 2020-05, Vol.152 (19), p.194103-194103 [Periódico revisado por pares]United States: American Institute of PhysicsTexto completo disponível |
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Material Type: Livro
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Electronic StructureK. Horn Karsten Horn; M Scheffler; Matthias SchefflerNorth-Holland 2000Acesso online |
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3 |
Material Type: Artigo
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An sp-hybridized all-carboatomic ring, cyclo[18]carbon: Electronic structure, electronic spectrum, and optical nonlinearityLiu, Zeyu ; Lu, Tian ; Chen, QinxueCarbon (New York), 2020-09, Vol.165, p.461-467 [Periódico revisado por pares]New York: Elsevier LtdTexto completo disponível |
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Material Type: Livro
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5 |
Material Type: Artigo
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Total Structure and Electronic Structure Analysis of Doped Thiolated Silver [MAg24(SR)18](2-) (M = Pd, Pt) ClustersYan, Juanzhu ; Su, Haifeng ; Yang, Huayan ; Malola, Sami ; Lin, Shuichao ; Häkkinen, Hannu ; Zheng, NanfengJournal of the American Chemical Society, 2015-09, Vol.137 (37), p.11880-11883 [Periódico revisado por pares]United StatesTexto completo disponível |
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Material Type: Artigo
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Electronic Structure Modeling of Metal–Organic FrameworksMancuso, Jenna L ; Mroz, Austin M ; Le, Khoa N ; Hendon, Christopher HChemical reviews, 2020-08, Vol.120 (16), p.8641-8715 [Periódico revisado por pares]Easton: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Metastable MoS2: Crystal Structure, Electronic Band Structure, Synthetic Approach and Intriguing Physical PropertiesZhao, Wei ; Pan, Jie ; Fang, Yuqiang ; Che, Xiangli ; Wang, Dong ; Bu, Kejun ; Huang, FuqiangChemistry : a European journal, 2018-10, Vol.24 (60), p.15942-15954 [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
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Material Type: Artigo
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Ultrathin 2D Photocatalysts: Electronic‐Structure Tailoring, Hybridization, and ApplicationsDi, Jun ; Xiong, Jun ; Li, Huaming ; Liu, ZhengAdvanced materials (Weinheim), 2018-01, Vol.30 (1), p.n/a [Periódico revisado por pares]Germany: Wiley Subscription Services, IncTexto completo disponível |
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Material Type: Artigo
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Electronic Structure, Optoelectronic Properties, and Photoelectrochemical Characteristics of γ‑Cu3V2O8 Thin FilmsJiang, Chang-Ming ; Farmand, Maryam ; Wu, Cheng Hao ; Liu, Yi-Sheng ; Guo, Jinghua ; Drisdell, Walter S ; Cooper, Jason K ; Sharp, Ian DChemistry of materials, 2017-04, Vol.29 (7), p.3334-3345 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Local electronic structure variation resulting in Li ‘filament’ formation within solid electrolytesLiu, Xiaoming ; Garcia-Mendez, Regina ; Lupini, Andrew R. ; Cheng, Yongqiang ; Hood, Zachary D. ; Han, Fudong ; Sharafi, Asma ; Idrobo, Juan Carlos ; Dudney, Nancy J. ; Wang, Chunsheng ; Ma, Cheng ; Sakamoto, Jeff ; Chi, MiaofangNature materials, 2021-11, Vol.20 (11), p.1485-1490 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |