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1 |
Material Type: Artigo
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Building 2D quasicrystals from 5-fold symmetric corannulene moleculesKalashnyk, Nataliya ; Ledieu, Julian ; Gaudry, Émilie ; Cui, Can ; Tsai, An-Pang ; Fournée, VincentNano research, 2018-04, Vol.11 (4), p.2129-2138 [Periódico revisado por pares]Beijing: Tsinghua University PressTexto completo disponível |
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Material Type: Artigo
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How Does Lithiation Affect Electro-Optical Features of Corannulene (C20H10) and Quadrannulene (C16H8) Buckybowls?Shakerzadeh, Ehsan ; Kazemimoghadam, Fatemeh ; Anota, Ernesto ChigoJournal of electronic materials, 2018-04, Vol.47 (4), p.2348-2358 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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Material Type: Artigo
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Alkali Metal Doping for Enhancement of Nonlinear Optical Properties of Dicyclopenta[4,3,2,1-ghi:4′,3′,2′,1′-pqr]perylene: A New Bowl-Shaped Fragment of Fullerene C70Abdolahi Joneghani, Solmaz ; Biglari, Zeinab ; Gholipour, AlirezaJournal of inorganic and organometallic polymers and materials, 2021-02, Vol.31 (2), p.648-658 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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Material Type: Artigo
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Open-shell nature of non-IPR fullerene С40: isomers 29 (C2) and 40 (Td)Khamatgalimov, Ayrat R. ; Idrisov, Rustem I. ; Kamaletdinov, Ilnaz I. ; Kovalenko, Valeri I.Journal of molecular modeling, 2021-02, Vol.27 (2), p.22-22, Article 22 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Material Type: Artigo
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The average local ionization energy as a tool for identifying reactive sites on defect-containing model graphene systemsMurray, Jane S. ; Shields, Zenaida Peralta-Inga ; Lane, Pat ; Macaveiu, Laura ; Bulat, Felipe A.Journal of molecular modeling, 2013-07, Vol.19 (7), p.2825-2833 [Periódico revisado por pares]Berlin/Heidelberg: Springer-VerlagTexto completo disponível |
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Material Type: Artigo
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Interaction of a Ti-doped semi-fullerene (TiC30) with molecules of CO and CO2Canales, M. ; Ramírez-de-Arellano, J. M. ; Magana, L. F.Journal of molecular modeling, 2016-09, Vol.22 (9), p.223-5, Article 223 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
7 |
Material Type: Artigo
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DFT and MP2 study of the interaction between corannulene and alkali cationsRellán-Piñeiro, Marcos ; Rodríguez-Otero, Jesús ; Cabaleiro-Lago, Enrique M. ; Josa, DanielaJournal of molecular modeling, 2013-05, Vol.19 (5), p.2049-2055 [Periódico revisado por pares]Berlin/Heidelberg: Springer-VerlagTexto completo disponível |
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Material Type: Artigo
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Features of molecular structure of small non-IPR fullerenes: the two isomers of C50Khamatgalimov, Ayrat R. ; Yakupova, Liana I. ; Kovalenko, Valeri I.Theoretical chemistry accounts, 2020-10, Vol.139 (10), Article 159 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
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Material Type: Artigo
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Introducing a novel C50N10 azafullerene with chained nitrogen atoms on a buckyball pole: structure, stability, vibration, and electronic propertiesNekoei, A.-Reza ; Haghgoo, Sanaz ; Hamzekhani, Zahra HamzaviJournal of molecular modeling, 2023-06, Vol.29 (6), p.194-194, Article 194 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
10 |
Material Type: Artigo
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Size and shape effects on complexes of fullerenes with carbon nanorings: C50 and C76 as [10]CPP and [6]CPPA guestsGonzález-Veloso, Iván ; Rodríguez-Otero, Jesús ; Cabaleiro-Lago, Enrique M.Structural chemistry, 2019-06, Vol.30 (3), p.647-656 [Periódico revisado por pares]New York: Springer USTexto completo disponível |