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Non-Additive Kinetic Energy and Potential in Analytically Solvable Systems and Their Approximated Counterparts Wesolowski, Tomasz Adam; Savin, Andreas 2013
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Semilocal Approximations for the Kinetic Energy Tran, F.; Wesolowski, Tomasz Adam 2013
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Shifts in Excitation Energies Induced by Hydrogen Bonding: A Comparison of the Embedding and Supermolecular Time-Dependent Density Functional Theory Calculations with the Equation-of-Motion Coupled-Cluster Results Fradelos, Georgios; Lutz, Jesse J.; Wesolowski, Tomasz Adam; Piecuch, Piotr; Wloch, Arta 2012
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Revealing the Bonding Pattern from the Molecular Electron Density Using Single Exponential Decay Detector: An Orbital-Free Alternative to the Electron Localization Function De Silva, Piotr; Korchowiec, Jacek; Wesolowski, Tomasz Adam 2012
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Pure-state noninteracting v-representability of electron densities from Kohn-Sham calculations with finite basis sets De Silva, Piotr; Wesolowski, Tomasz Adam 2012
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Exact non-additive kinetic potentials in realistic chemical systems De Silva, Piotr; Wesolowski, Tomasz Adam 2012
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Multi-scale modelling of solvatochromic shifts from frozen-density embedding theory with non-uniform continuum model of the solvent: the coumarin 153 case Zhou, Xiuwen; Kaminski, Jakub Wojciech; Wesolowski, Tomasz Adam 2011
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The Importance of Going beyond Coulombic Potential in Embedding Calculations for Molecular Properties: The Case of Iso-G for Biliverdin in Protein-Like Environment Fradelos, Georgios; Wesolowski, Tomasz Adam 2011
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Embedding vs Supermolecular Strategies in Evaluating the Hydrogen-Bonding-Induced Shifts of Excitation Energies Fradelos, Georgios; Lutz, Jesse J.; Wesolowski, Tomasz Adam; Piecuch, Piotr; Włoch, Marta 2011
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Importance of the Intermolecular Pauli Repulsion in Embedding Calculations for Molecular Properties: The Case of Excitation Energies for a Chromophore in Hydrogen-Bonded Environments Fradelos, Georgios; Wesolowski, Tomasz Adam 2011
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Optimizing Sensitization Processes in Dinuclear Luminescent Lanthanide Oligomers: Selection of Rigid Aromatic Spacers Lemonnier, Jean-François; Guenee, Laure; Beuchat, Cesar; Wesolowski, Tomasz Adam; ... Piguet, Claude 2011
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Comment on “Accurate frozen-density embedding potentials as a first step towards a subsystem description of covalent bonds” [J. Chem. Phys. 132, 164101 (2010)] Wesolowski, Tomasz Adam 2011
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Self-consistency in frozen-density embedding theory based calculations Aquilante, Francesco; Wesolowski, Tomasz Adam 2011
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Modeling Solvatochromic Shifts Using the Orbital-Free Embedding Potential at Statistically Mechanically Averaged Solvent Density Kaminski, Jakub Wojciech; Gusarov, Sergey; Wesolowski, Tomasz Adam; Kovalenko, Andriy 2010
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Thermal Desorption, Vibrational Spectroscopic, and DFT Computational Studies of the Complex Manganese Borohydrides Mn(BH4)2 and [Mn(BH4)4]2− Severa, Godwin; Hagemann, Hans-Rudolf; Longhini, Mose; Kaminski, Jakub Wojciech; ... Jensen, Craig M. 2010
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Orbital-free effective embedding potential: Density-matrix functional theory case Pernal, Katarzyna; Wesolowski, Tomasz Adam 2009
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Physical chemistry at the University of Geneva Hagemann, Hans-Rudolf; Wesolowski, Tomasz Adam; Berclaz, Théo; Gagliardi, Laura; ... Vauthey, Eric 2009
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Cooperative effect of hydrogen-bonded chains in the environment of a π → π* chromophore Fradelos, Georgios; Kaminski, Jakub Wojciech; Wesolowski, Tomasz Adam; Leutwyler, Samuel 2009
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Orbital-free embedding effective potential in analytically solvable cases Savin, Andreas; Wesolowski, Tomasz Adam 2009
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Linearized orbital-free embedding potential in self-consistent calculations Dulak, Marcin; Kaminski, Jakub Wojciech; Wesolowski, Tomasz Adam 2009
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