JK
Kaminski, Jakub Wojciech
Title | Published in | Access level | OA Policy | Year | Views | Downloads | |
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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 | PCCP. Physical chemistry chemical physics | 2011 | 565 | 0 | |||
Developement and applications of non-empirical methods for modelin electronic structure in condensed phase | 2010 | 900 | 583 | ||||
Thermal Desorption, Vibrational Spectroscopic, and DFT Computational Studies of the Complex Manganese Borohydrides Mn(BH4)2 and [Mn(BH4)4]2− | Journal of physical chemistry. C | 2010 | 751 | 1 | |||
Modeling Solvatochromic Shifts Using the Orbital-Free Embedding Potential at Statistically Mechanically Averaged Solvent Density | The journal of physical chemistry. A | 2010 | 592 | 0 | |||
Cooperative effect of hydrogen-bonded chains in the environment of a π → π* chromophore | The journal of physical chemistry. A | 2009 | 606 | 371 | |||
Linearized orbital-free embedding potential in self-consistent calculations | International journal of quantum chemistry | 2009 | 698 | 365 | |||
The energy-differences based exact criterion for testing approximations to the functional for the kinetic energy of non-interacting electrons | Journal of physics. A, mathematical and general | 2008 | 629 | 342 | |||
Orbital-free effective embedding potential at nuclear cusps | The Journal of chemical physics | 2008 | 581 | 0 | |||
LiSc(BH4)4: A Novel Salt of Li+ and Discrete Sc(BH4)4− Complex Anions | The journal of physical chemistry. A | 2008 | 683 | 455 | |||
Equilibrium Geometries of Noncovalently Bound Intermolecular Complexes Derived from Subsystem Formulation of Density Functional Theory | Journal of chemical theory and computation | 2007 | 645 | 568 |