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Marcin Modrzejewski
Marcin Modrzejewski
Faculty of Chemistry, University of Warsaw
Zweryfikowany adres z uw.edu.pl - Strona główna
Tytuł
Cytowane przez
Cytowane przez
Rok
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
242013
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
192014
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
192014
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
182018
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
162014
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
142017
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
112016
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
92019
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
92014
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
92012
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
92010
Efficient Adiabatic Connection Approach for Strongly Correlated Systems: Application to Singlet–Triplet Gaps of Biradicals
D Drwal, P Beran, M Hapka, M Modrzejewski, A Sokół, L Veis, K Pernal
The Journal of Physical Chemistry Letters 13 (20), 4570-4578, 2022
72022
Assessment of SAPT (DFT) with meta-GGA functionals
M Hapka, M Modrzejewski, G Chałasiński, MM Szczęśniak
Journal of Molecular Modeling 26 (5), 102, 2020
72020
GammCor code
K Pernal, M Hapka, M Przybytek, M Modrzejewski, A Sokół
62022
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
62012
Random-phase approximation in many-body noncovalent systems: Methane in a dodecahedral water cage
M Modrzejewski, S Yourdkhani, S Smiga, J Klimes
Journal of Chemical Theory and Computation 17 (2), 804-817, 2021
42021
Dataset of noncovalent intermolecular interaction energy curves for 24 small high-spin open-shell dimers
K Madajczyk, PS Żuchowski, F Brzȩk, Ł Rajchel, D Kȩdziera, ...
The Journal of Chemical Physics 154 (13), 134106, 2021
22021
F-12 density matrices and cumulants from the explicitly connected coupled-cluster theory
AM Tucholska, M Modrzejewski, R Moszynski
arXiv preprint arXiv:2304.11583, 2023
2023
Assessment of random phase approximation and second-order Møller–Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene
KN Pham, M Modrzejewski, J Klimeš
The Journal of Chemical Physics 158 (14), 2023
2023
New Density Functionals for Modeling Noncovalent Systems
M Modrzejewski
University of Warsaw, 2017
2017
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