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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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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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Frozen Density Embedding Theory based computer simulations of electronic structure in condensed phase Fradelos, Georgios 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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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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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