| 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 | 625 | 0 |
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| Development and applications of non-empirical methods for modeling electronic structure in condensed phase | |  | | 2010 | 1,143 | 1,171 |
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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− | Journal of physical chemistry. C | | | 2010 | 841 | 1 |
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| Modeling Solvatochromic Shifts Using the Orbital-Free Embedding Potential at Statistically Mechanically Averaged Solvent Density | The journal of physical chemistry. A | | | 2010 | 660 | 0 |
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| Cooperative effect of hydrogen-bonded chains in the environment of a π → π* chromophore | The journal of physical chemistry. A | | | 2009 | 685 | 502 |
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| Linearized orbital-free embedding potential in self-consistent calculations | International journal of quantum chemistry | | | 2009 | 763 | 455 |
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| 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 | 712 | 476 |
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| Orbital-free effective embedding potential at nuclear cusps | The Journal of chemical physics | | | 2008 | 652 | 0 |
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| LiSc(BH4)4: A Novel Salt of Li+ and Discrete Sc(BH4)4− Complex Anions | The journal of physical chemistry. A | | | 2008 | 793 | 642 |
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| Equilibrium Geometries of Noncovalently Bound Intermolecular Complexes Derived from Subsystem Formulation of Density Functional Theory | Journal of chemical theory and computation | | | 2007 | 748 | 703 |
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