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Material Type: Artigo
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Progress and Challenges in the Calculation of Electronic Excited StatesGonzález, Leticia ; Escudero, Daniel ; Serrano-Andrés, LuisChemphyschem, 2012-01, Vol.13 (1), p.28-51 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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2 |
Material Type: Artigo
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Benchmarking Density Functional Methods against the S66 and S66x8 Datasets for Non-Covalent InteractionsGoerigk, Lars ; Kruse, Holger ; Grimme, StefanChemphyschem, 2011-12, Vol.12 (17), p.3421-3433 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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3 |
Material Type: Artigo
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The Pseudopotential Approximation in Electronic Structure TheorySchwerdtfeger, PeterChemphyschem, 2011-12, Vol.12 (17), p.3143-3155 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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4 |
Material Type: Artigo
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Proton Transfer 200 Years after von Grotthuss: Insights from Ab Initio SimulationsMarx, DominikChemphyschem, 2006-09, Vol.7 (9), p.1848-1870 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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5 |
Material Type: Artigo
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Influence of the Delocalization Error and Applicability of Optimal Functional Tuning in Density Functional Calculations of Nonlinear Optical Properties of Organic Donor-Acceptor ChromophoresSun, Haitao ; Autschbach, JochenChemphyschem, 2013-08, Vol.14 (11), p.2450-2461 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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6 |
Material Type: Artigo
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EUV spectra of europium—Chasing for spectral lines of P- to Ar-like ionsTräbert, Elmar ; Beiersdorfer, Peter ; Brown, Gregory V. ; Hell, Natalie ; Clementson, Joel H.T.X-ray spectrometry, 2019-08, Vol.49 (1) [Periódico revisado por pares]United States: WileyTexto completo disponível |
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7 |
Material Type: Artigo
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C 1s Peak of Adventitious Carbon Aligns to the Vacuum Level: Dire Consequences for Material's Bonding Assignment by Photoelectron SpectroscopyGreczynski, Grzegorz ; Hultman, LarsChemphyschem, 2017-06, Vol.18 (12), p.1507-1512 [Periódico revisado por pares]Germany: John Wiley and Sons IncTexto completo disponível |
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8 |
Material Type: Artigo
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Measurements of L-shell X-ray emission lines of neonlike europium on an electron beam ion trapBeiersdorfer, Peter ; Hell, Natalie ; Panchenko, Dmytro ; Brown, Greg V. ; Träbert, Elmar ; Kelley, Richard L. ; Kilbourne, Caroline A. ; Porter, F. ScottX-ray spectrometry, 2019-06, Vol.49 (1) [Periódico revisado por pares]United States: WileyTexto completo disponível |
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9 |
Material Type: Artigo
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First and Second Proton Affinities of Carbon BasesTonner, Ralf ; Heydenrych, Greta ; Frenking, GernotChemphyschem, 2008-07, Vol.9 (10), p.1474-1481 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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10 |
Material Type: Artigo
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Intermolecular Weak Interactions in HTeXH Dimers (X=O, S, Se, Te): Hydrogen Bonds, Chalcogen-Chalcogen Contacts and Chiral DiscriminationSánchez-Sanz, Goar ; Trujillo, Cristina ; Alkorta, Ibon ; Elguero, JoséChemphyschem, 2012-02, Vol.13 (2), p.496-503 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |