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Material Type: Artigo
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Theoretical study on phthalocyanine, pyrazinoporphyrazine and their complexation with Mg2+ and Zn2Lee, A. ; Kim, D. ; Choi, S.-H. ; Park, J.-W. ; Jaung, J.-Y. ; Jung, D.H.Molecular simulation, 1901-01, Vol.36 (3), p.192-198 [Periódico revisado por pares]Taylor & Francis GroupSem texto completo |
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Material Type: Artigo
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Theory and calculations of X-ray spectra: XAS, XES, XRS, and NRIXSRehr, J.J.Radiation physics and chemistry (Oxford, England : 1993), 2006-11, Vol.75 (11), p.1547-1558 [Periódico revisado por pares]Elsevier LtdTexto completo disponível |
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Material Type: Artigo
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Spectroscopic and theoretical investigation of capillary-induced keto-enol tautomerism of phenacyl benzoylpyridinium-type photoinitiatorsYonet, Nihan ; Bicak, Niyazi ; Yurtsever, Mine ; Yagci, YusufPolymer international, 2007-04, Vol.56 (4), p.525-531 [Periódico revisado por pares]Chichester, UK: John Wiley & Sons, LtdTexto completo disponível |
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Material Type: Artigo
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What Silicon Nanocluster is Most Likely Formed in Etching Experiments? Theoretical DFT StudyZhanpeisov, Nurbosyn U. ; Fukumura, HiroshiJournal of nanoscience and nanotechnology, 2008-07, Vol.8 (7), p.3478-3482United States: American Scientific PublishersSem texto completo |
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Material Type: Artigo
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Deposition dynamics of Na monomers and dimers on an Ar(0 0 1) substrateDinh, P.M. ; Fehrer, F. ; Reinhard, P.-G. ; Suraud, E.Surface science, 2008-08, Vol.602 (15), p.2699-2705 [Periódico revisado por pares]Lausanne: Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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TD-DFT Studies on Hematoporphyrin and Its DimersSuvitha, A. ; Belosludov, R. V. ; Mizuseki, H. ; Kawazoe, Y. ; Takeda, M. ; Kohno, M. ; Ohuchi, N.MATERIALS TRANSACTIONS, 2008/11/01, Vol.49(11), pp.2416-2419 [Periódico revisado por pares]Sendai: The Japan Institute of Metals and MaterialsTexto completo disponível |
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Material Type: Artigo
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Dipole excitations of Ar substrate in contact with Na clustersDinh, P.M. ; Reinhard, P.-G. ; Suraud, E.Surface science, 2009-01, Vol.603 (2), p.400-406 [Periódico revisado por pares]Kidlington: Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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Theoretical investigations on the carbazole-based conjugated polymers containing electron-donating divinylarylLiu, Liming ; Wang, Xueye ; Wang, Yanling ; Peng, Xinyu ; Mo, YuexiangJournal of polymer science. Part B, Polymer physics, 2009-04, Vol.47 (7), p.706-714 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |
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Material Type: Artigo
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Simulated Ultra-Fast Phenomena in Photo-Excited Carbon NanotubeMiyamoto, YoshiyukiJournal of nanoscience and nanotechnology, 2010-06, Vol.10 (6), p.3759-3766United States: American Scientific PublishersSem texto completo |
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Material Type: Artigo
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A Time-Dependent Density Functional Theory Study on the Absorption Spectra of Cun ClustersZhou, Yuhong ; Zeng, ZhiJournal of nanoscience and nanotechnology, 2010-08, Vol.10 (8), p.5404-5407American Scientific PublishersSem texto completo |