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Mixed PbFBr1-xIx crystals: structural and spectroscopic investigations Hagemann, Hans-Rudolf; Rief, A.; Kubel, Frank; Van Mechelen, J.L.M.; ... Blaha, P. 2007
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The role of density functional theory in chemistry: Some historical landmarks and applications to zeolites Corminboeuf, Anne-Clémence; Tran, Fabien; Weber, Jacques 2006
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One-Electron Equations for Embedded Electron Density and Their Applications to Study Electronic Structure of Atoms and Molecules in Condensed Phase Dulak, Marcin; Kevorkyants, Ruslan; Tran, Fabien; Wesolowski, Tomasz Adam 2005
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Theoretical Study of Neutral and Cationic Complexes Involving Phenol Tran, Fabien; Wesolowski, Tomasz Adam 2005
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Pi-Stacking Behavior of Selected Nitrogen-Containing PAHs Tran, Fabien; Alameddine, Bassam; Jenny, Titus A.; Wesolowski, Tomasz Adam 2004
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Gradient-free and gradient-dependent approximations in the total energy bifunctional for weakly overlapping electron densities Wesolowski, Tomasz Adam; Tran, Fabien 2003
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Approximation to the classical Coulomb energy for atoms Tran, Fabien 2003
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Physisorption of Molecular Hydrogen on Polycyclic Aromatic Hydrocarbons: A Theoretical Study Tran, Fabien; Weber, Jacques; Wesolowski, Tomasz Adam; Cheikh, Frikia; ... Pauzat, Françoise 2002
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Link between the Kinetic- and Exchange-Energy Functionals in the Generalized Gradient Approximation Tran, Fabien; Wesolowski, Tomasz Adam 2002
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Introduction of the explicit long-range nonlocality as an alternative to the gradient expansion approximation for the kinetic-energy functional Tran, Fabien; Wesolowski, Tomasz Adam 2002
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Theoretical Study of the Benzene Dimer by the Density-Functional-Theory Formalism Based on Electron-Density Partitioning Tran, Fabien; Weber, Jacques; Wesolowski, Tomasz Adam 2001