Malgorzata Olejniczak
Malgorzata Olejniczak
Centre of New Technologies (CeNT), University of Warsaw
Verified email at cent.uw.edu.pl - Homepage
Title
Cited by
Cited by
Year
A simple scheme for magnetic balance in four-component relativistic Kohn–Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis
M Olejniczak, R Bast, T Saue, M Pecul
The Journal of Chemical Physics 136 (1), 014108, 2012
692012
NMR Shielding Constants in PH3, Absolute Shielding Scale, and the Nuclear Magnetic Moment of 31P
P Lantto, K Jackowski, W Makulski, M Olejniczak, M Jaszuński
The Journal of Physical Chemistry A 115 (38), 10617-10623, 2011
322011
4-Component relativistic magnetically induced current density using London atomic orbitals
D Sulzer, M Olejniczak, R Bast, T Saue
Physical Chemistry Chemical Physics 13 (46), 20682-20689, 2011
302011
Theoretical investigation on the linear and nonlinear susceptibilities of urea crystal
M Olejniczak, M Pecul, B Champagne, E Botek
The Journal of chemical physics 128 (24), 244713, 2008
232008
Spin–Spin Coupling Constants Transmitted through Ir H⋅⋅⋅ H N Dihydrogen Bonds
M Olejniczak, M Pecul
ChemPhysChem 10 (8), 1247-1259, 2009
182009
The DIRAC code for relativistic molecular calculations
T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ...
The Journal of Chemical Physics 152 (20), 204104, 2020
172020
NMR shielding constants in SeH2 and TeH2
M Jaszuński, M Olejniczak
Molecular Physics 111 (9-11), 1355-1363, 2013
122013
On the calculation of second-order magnetic properties using subsystem approaches in a relativistic framework
M Olejniczak, R Bast, ASP Gomes
Physical Chemistry Chemical Physics 19 (12), 8400-8415, 2017
112017
A Topological Data Analysis perspective on noncovalent interactions in relativistic calculations
M Olejniczak, A Severo Pereira Gomes, J Tierny
International Journal of Quantum Chemistry 120 (8), e26133, 2020
72020
NMR shielding constants in group 15 trifluorides
TE Field-Theodore, M Olejniczak, M Jaszuński, DJD Wilson
Physical Chemistry Chemical Physics 20 (35), 23025-23033, 2018
72018
Strong enhancement of parity violation effects in chiral uranium compounds
M Wormit, M Olejniczak, AL Deppenmeier, A Borschevsky, T Saue, ...
Physical Chemistry Chemical Physics 16 (32), 17043-17051, 2014
62014
Ab initio study of NMR shielding constants and spin-rotation constants in N, P and As diatomic molecules
A Antušek, M Jaszuński, M Olejniczak
Computational and Theoretical Chemistry 970 (1-3), 54-60, 2011
62011
Erratum:“A simple scheme for magnetic balance in four-component relativistic Kohn–Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis”[J …
M Olejniczak, R Bast, T Saue, M Pecul
The Journal of Chemical Physics 136 (23), 239902, 2012
52012
Investigating solvent effects on the magnetic properties of molybdate ions () with relativistic embedding
L Halbert, M Olejniczak, V Vallet, A Severo Pereira Gomes
International Journal of Quantum Chemistry, e26207, 2019
22019
Report of the TopoInVis TTK Hackathon: Experiences, Lessons Learned, and Perspectives
J Lukasczyk, J Beran, W Engelke, M Falk, A Friederici, C Garth, ...
12020
Cover Image, Volume 120, Issue 21
L Halbert, M Olejniczak, V Vallet, A Severo Pereira Gomes
International Journal of Quantum Chemistry 120 (21), e26496, 2020
2020
Solvent effects on NMR shielding of MoO42- via relativistic Frozen Density Embedding
L Halbert, M Olejniczak, V Vallet, ASP Gomes
2018
Probing the properties of the tetravalent actinide series in aqueous phase from atomistic simulations
E Acher, M Masella, V Vallet, F Réal
2018
Quantum and classical approaches to probe the structural, dynamical and hydration properties of tetravalent actinide elements
F Réal, E Acher, M Masella, V Vallet
2018
Relativistic correlated calculations of the thermodynamics properties of gaseous plutonium oxides
S Kervazo, F Réal, F Virot, ASP Gomes, M Olejniczak, PW Ayers, V Vallet
2016
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Articles 1–20