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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
282013
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), 2014
202014
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), 2014
202014
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
192018
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
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), 2017
162017
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
132022
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
122019
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
122016
GammCor code
K Pernal, M Hapka, M Przybytek, M Modrzejewski, A Sokół, A Tucholska
102022
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
102010
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), 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
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
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), 2021
62021
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
62021
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
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
22023
Efficient calculation of the dispersion energy for multireference systems with Cholesky decomposition: Application to excited-state interactions
M Hapka, A Krzemińska, M Modrzejewski, M Przybytek, K Pernal
The Journal of Physical Chemistry Letters 14 (30), 6895-6903, 2023
12023
Post-Kohn–Sham Random-Phase Approximation and Correction Terms in the Expectation-Value Coupled-Cluster Formulation
D Cieśliński, AM Tucholska, M Modrzejewski
Journal of Chemical Theory and Computation 19 (19), 6619-6631, 2023
2023
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