Range-separated meta-GGA functional designed for noncovalent interactions M Modrzejewski, G Chalasinski, MM Szczesniak Journal of Chemical Theory and Computation 10 (10), 4297-4306, 2014 | 18 | 2014 |
Density-dependent onset of the long-range exchange: A key to donor–acceptor properties M Modrzejewski, Ł Rajchel, G Chalasinski, MM Szczesniak The Journal of Physical Chemistry A 117 (45), 11580-11586, 2013 | 16 | 2013 |
Assessment of newest meta-gga hybrids for late transition metal reactivity: Fractional charge and fractional spin perspective M Modrzejewski, G Chalasinski, MM Szczesniak The Journal of Physical Chemistry C 123 (13), 8047-8056, 2018 | 14 | 2018 |
Density functional theory approach to gold-ligand interactions: Separating true effects from artifacts JV Koppen, M Hapka, M Modrzejewski, MM Szczęśniak, G Chałasiński The Journal of chemical physics 140 (24), 244313, 2014 | 14 | 2014 |
Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory M Hapka, Ł Rajchel, M Modrzejewski, G Chałasiński, MM Szczęśniak The Journal of chemical physics 141 (13), 134120, 2014 | 13 | 2014 |
The nature of three-body interactions in DFT: Exchange and polarization effects M Hapka, Ł Rajchel, M Modrzejewski, R Schäffer, G Chałasiński, ... The Journal of chemical physics 147 (8), 084106, 2017 | 10 | 2017 |
Dispersion-free component of non-covalent interaction via mutual polarization of fragment densities M Modrzejewski, Ł Rajchel, MM Szczęśniak, G Chałasiński The Journal of chemical physics 136 (20), 204109, 2012 | 8 | 2012 |
Transition properties from the Hermitian formulation of the coupled cluster polarization propagator AM Tucholska, M Modrzejewski, R Moszynski The Journal of chemical physics 141 (12), 124109, 2014 | 7 | 2014 |
Employing range separation on the meta-GGA rung: New functional suitable for both covalent and noncovalent interactions M Modrzejewski, M Hapka, G Chalasinski, MM Szczesniak Journal of Chemical Theory and Computation 12 (8), 3662-3673, 2016 | 6 | 2016 |
A first-principles-based correlation functional for harmonious connection of short-range correlation and long-range dispersion M Modrzejewski, M Lesiuk, Ł Rajchel, MM Szczęśniak, G Chałasiński The Journal of Chemical Physics 137 (20), 204121, 2012 | 6 | 2012 |
A density functional theory approach to noncovalent interactions via interacting monomer densities Ł Rajchel, PS Żuchowski, M Hapka, M Modrzejewski, MM Szczęśniak, ... Physical Chemistry Chemical Physics 12 (44), 14686-14692, 2010 | 6 | 2010 |
Random phase approximation applied to many-body noncovalent systems M Modrzejewski, S Yourdkhani, J Klimes Journal of chemical theory and computation 16 (1), 427-442, 2019 | 4 | 2019 |
Assessment of SAPT (DFT) with meta-GGA functionals M Hapka, M Modrzejewski, G Chałasiński, MM Szczęśniak Journal of molecular modeling 26 (5), 1-10, 2020 | 1 | 2020 |
Random-Phase Approximation in Many-Body Noncovalent Systems: Methane in a Dodecahedral Water Cage M Modrzejewski, S Yourdkhani, S Śmiga, J Klimeš Journal of Chemical Theory and Computation 17 (2), 804-817, 2021 | | 2021 |
Dataset of Noncovalent Intermolecular Interaction Energy Curves for 24 Small High-Spin Open-Shell Dimers K Madajczyk, P Zuchowski, F Brzęk, Ł Rajchel, D Kędziera, ... | | 2021 |
New Density Functionals for Modeling Noncovalent Systems M Modrzejewski University of Warsaw, 2017 | | 2017 |