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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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Developement and applications of non-empirical methods for modelin electronic structure in condensed phase Kaminski, Jakub Wojciech 2010
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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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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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Linearized orbital-free embedding potential in self-consistent calculations Dulak, Marcin; Kaminski, Jakub Wojciech; Wesolowski, Tomasz Adam 2009
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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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Orbital-free effective embedding potential at nuclear cusps Garcia Lastra, Juan Maria; Kaminski, Jakub Wojciech; Wesolowski, Tomasz Adam 2008
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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