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 TitleAuthors / EditorsDate
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LiSc(BH4)4: A Novel Salt of Li+ and Discrete Sc(BH4)4− Complex Anions Hagemann, Hans-Rudolf; Longhini, Moise; Kaminski, Jakub Wojciech; Wesolowski, Tomasz Adam; ... Jensen, Craig M. 2008
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The energy-differences based exact criterion for testing approximations to the functional for the kinetic energy of non-interacting electrons Bernard, Yves A.; Dułak, Marcin; Kaminski, Jakub Wojciech; Wesolowski, Tomasz Adam 2008
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Embedding a multideterminantal wave function in an orbital-free environment Wesolowski, Tomasz Adam 2008
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Orbital-free effective embedding potential at nuclear cusps Garcia Lastra, Juan Maria; Kaminski, Jakub Wojciech; Wesolowski, Tomasz Adam 2008
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Interaction energies in non-covalently bound intermolecular complexes derived using the subsystem formulation of density functional theory Dulak, Marcin; Wesolowski, Tomasz Adam 2007
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Equilibrium Geometries of Noncovalently Bound Intermolecular Complexes Derived from Subsystem Formulation of Density Functional Theory Dulak, Marcin; Kaminski, Jakub Wojciech; Wesolowski, Tomasz Adam 2007
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Hohenberg-Kohn-Sham density functional theory Wesolowski, Tomasz Adam 2007
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Comment on "On the original proof by reductio ad absurdum of the Hohenberg-Kohn theorem for many-electron Coulomb systems" Szczepanik, W.; Dulak, M.; Wesolowski, Tomasz Adam 2007
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Nonlinearity of the Bifunctional of the Nonadditive Kinetic Energy: Numerical Consequences in Orbital-Free Embedding Calculations Dulak, Marcin; Wesolowski, Tomasz Adam 2006
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Effect of the f-Orbital Delocalization on the Ligand-Field Splitting Energies in Lanthanide-Containing Elpasolites Zbiri, Mohamed; Daul, Claude; Wesolowski, Tomasz Adam 2006
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Water trapped in dibenzo-18-crown-6: theoretical and spectroscopic (IR, Raman) studies Dulak, Marcin; Bergougnant, Rémi; Fromm, Katharina M.; Hagemann, Hans-Rudolf; ... Wesolowski, Tomasz Adam 2006
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One-electron equations for embedded electron density: challenge for theory and practical payoffs in multi-level modeling of complex polyatomic systems Wesolowski, Tomasz Adam 2006
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On the electron leak problem in orbital-free embedding calculations Dulak, Marcin; Wesolowski, Tomasz Adam 2006
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Mechanism of Nitrate Reduction by Desulfovio desulfuricans Nitrate Reductase - A Theoretical Investigation Leopoldini, Monica; Russo, Nino; Toscano, Marirosa; Dulak, Marcin; Wesolowski, Tomasz Adam 2006
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Interaction energies in hydrogen-bonded systems: A testing ground for subsystem formulation of density-functional theory Kevorkyants, Ruslan; Dulak, Marcin; Wesolowski, Tomasz Adam 2006
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Optical and vibrational properties of (MnF6)4- complexes in cubic fluoroperovskites: insight through embedding calculations using Kohn-Sham equations with constrained electron density Garcia-Lastra, J.M.; Wesolowski, Tomasz Adam; Barriuso, M.T.; Aramburu, J.A.; Moreno, M. 2006
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Study of Mn2+-doped fluoroperovskites by means of the Kohn-Sham Constrained Electron Density embedding formalism Garcia-Lastra, J.M.; Wesolowski, Tomasz Adam; Barriuso, M.T.; Aramburu, J.A.; Moreno, M. 2005
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Adaptive grid technique for computer simulations of condensed matter using orbital-free embedding formalism Dulak, Marcin; Wesolowski, Tomasz Adam 2005
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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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An Explicit Quantum Chemical Method for Modeling Large Solvation Shells Applied to Aminocoumarin C151 Neugebauer, Johannes; Jacob, Christoph R.; Wesolowski, Tomasz Adam; Baerends, Evert Jan 2005
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