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Material Type: Artículo
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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 [Revista revisada por pares]Weinheim: WILEY-VCH VerlagTexto completo disponible |
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Material Type: Artículo
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Hyperfine Coupling Constants on Inner-Sphere Water Molecules of GdIII-Based MRI Contrast AgentsEsteban-Gómez, David ; de Blas, Andrés ; Rodríguez-Blas, Teresa ; Helm, Lothar ; Platas-Iglesias, CarlosChemphyschem, 2012-11, Vol.13 (16), p.3640-3650 [Revista revisada por pares]Weinheim: WILEY-VCH VerlagTexto completo disponible |
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Material Type: Artículo
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Pnicogen Bonded Complexes of PO2X (X = F, Cl) with Nitrogen BasesAlkorta, Ibon ; Elguero, José ; Del Bene, Janet EThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-10, Vol.117 (40), p.10497-10503 [Revista revisada por pares]Washington, DC: American Chemical SocietyTexto completo disponible |
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Material Type: Artículo
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An R-matrix approach to electron-photon-molecule collisions: photoelectron angular distributions from aligned moleculesHarvey, Alex G ; Brambila, Danilo S ; Morales, Felipe ; Smirnova, OlgaJournal of physics. B, Atomic, molecular, and optical physics, 2014-11, Vol.47 (21), p.215005-12 [Revista revisada por pares]Bristol: IOP PublishingTexto completo disponible |
5 |
Material Type: Artículo
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Laser-induced conical intersections in molecular optical latticesMoiseyev, Nimrod ; Šindelka, Milan ; Cederbaum, Lorenz SJournal of physics. B, Atomic, molecular, and optical physics, 2008-11, Vol.41 (22), p.221001-221001 (5) [Revista revisada por pares]Bristol: IOP PublishingTexto completo disponible |
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Material Type: Artículo
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Correlation between Dynamic Heterogeneity and Local Structure in a Room-Temperature Ionic Liquid: A Molecular Dynamics Study of [bmim][PF6]Sarangi, Soumya S. ; Zhao, Wei ; Müller-Plathe, Florian ; Balasubramanian, SundaramChemphyschem, 2010-06, Vol.11 (9), p.2001-2010 [Revista revisada por pares]Weinheim: WILEY-VCH VerlagTexto completo disponible |
7 |
Material Type: Artículo
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Spin-Orbit Coupling in Phosphorescent Iridium(III) ComplexesSmith, Arthur R. G. ; Burn, Paul L. ; Powell, Ben J.Chemphyschem, 2011-09, Vol.12 (13), p.2429-2438 [Revista revisada por pares]Weinheim: WILEY-VCH VerlagTexto completo disponible |
8 |
Material Type: Artículo
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Infrared Spectra of Protonated Uracil, Thymine and CytosineSalpin, Jean-Yves ; Guillaumont, Sébastien ; Tortajada, Jeanine ; MacAleese, Luke ; Lemaire, Joël ; Maitre, PhilippeChemphyschem, 2007-10, Vol.8 (15), p.2235-2244 [Revista revisada por pares]Weinheim: WILEY-VCH VerlagTexto completo disponible |
9 |
Material Type: Artículo
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Pnicogen-Bonded Cyclic Trimers (PH2X)3 with X = F, Cl, OH, NC, CN, CH3, H, and BH2Alkorta, Ibon ; Elguero, José ; Del Bene, Janet EThe journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-06, Vol.117 (23), p.4981-4987 [Revista revisada por pares]Washington, DC: American Chemical SocietyTexto completo disponible |
10 |
Material Type: Artículo
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An Alternative Approach to the g‐Matrix: Theory and ApplicationsBolvin, HélèneChemphyschem, 2006-07, Vol.7 (7), p.1575-1589 [Revista revisada por pares]Weinheim: WILEY‐VCH VerlagTexto completo disponible |