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 TitleAuthors / EditorsDate
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The behavior of f-levels in hcp and bcc rare-earth elements in the ground state and XPS and BIS spectroscopy from density-functional theory Jarlborg, Thomas N. 2014
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Atomic shell structure from the Single-Exponential Decay Detector De Silva, Piotr; Korchowiec, Jacek; Wesolowski, Tomasz Adam 2014
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Electronic Structure of a Quasi-Freestanding MoS2 Monolayer Eknapakul, T.; King, P. D. C.; Asakawa, M.; Buaphet, P.; ... Meevasana, W. 2014
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Generating CuII-Oxyl/CuIII-Oxo Species from CuI- α-Ketocarboxylate Complexes and O2: In silico studies on ligand effects and C-H-activation reactivity Huber, Stefan M.; Ertem, Mehmed Z.; Aquilante, Francesco; Gagliardi, Laura; ... Cramer, Christopher J. 2009
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Optical study of strongly correlated electrons in metals Guritanu, Violeta 2008
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Electronic structure and magnetism for FeSi(1−x)Gex from supercell calculations Jarlborg, Thomas N. 2004
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Comment on: "Prediction of Electronic Excited States of Adsorbates on Metal Surfaces from First Principles" Phys. Rev. Lett., vol. 86 (2001) p.5954 by Kluener et al. Wesolowski, Tomasz Adam 2002
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Multi-terminal scattering approach to conductance and noise at scanning tunnelling microscope tips Gramespacher, Thomas; Buttiker, Markus 1999
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La théorie de la fonctionnelle de la densité : un outil pour l'étude théorique de complexes de coordination Chermette, Henry 1996
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Accuracy of approximate kinetic energy functionals in the model of Kohn-Sham equations with constrained electron density : the FH···NCH complex as a test case Wesolowski, Tomasz Adam; Chermette, Henry; Weber, Jacques 1996
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Excited state properties of Cr3+ in Cs2NaYCl6 and Cs2NaYBr6 : A density functional study Gilardoni, François; Weber, Jacques; Bellafrouh, Khalid; Daul, Claude; Güdel, Hans-Ulrich 1996
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Interstellar silicon-nitrogen chemistry. III. The spectral signatures of the H2SiN+ molecular ion Parisel, Olivier; Hanus, Marc; Ellinger, Yves 1996
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Intersystem Crossing in [Fe(ptz)6](BF4)2(ptz = 1-propyltetrazole) Hauser, Andreas 1991
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Electronic structure of Cr3+ in Cs2NaYCl6 and Cs2NaYBr6 lattices. Electron-paramagnetic resonance and electron-nuclear double resonance measurements and multiple scattering X α calculations Monnier, Alain; Chambaz, Daniel; Bill, Hans; Güdel, Hans-Ulrich; Weber, Jacques 1989
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EPR studies on an ``unperturbed'' CrO43- center in K2SO4 crystals Ravi Sekhar, Y.; Bill, Hans 1985