Hydrogen atoms can be located accurately and precisely by x-ray crystallography M Woińska, S Grabowsky, PM Dominiak, K Woźniak, D Jayatilaka Science advances 2 (5), e1600192, 2016 | 254 | 2016 |
A theoretical databank of transferable aspherical atoms and its application to electrostatic interaction energy calculations of macromolecules PM Dominiak, A Volkov, X Li, M Messerschmidt, P Coppens Journal of chemical theory and computation 3 (1), 232-247, 2007 | 178 | 2007 |
Corundum, Diamond, and PtS Metal–Organic Frameworks with a Difference: Self‐Assembly of a Unique Pair of 3‐Connecting D2d‐Symmetric 3, 3′, 5, 5′‐Tetrakis (4‐pyridyl) bimesityl R Natarajan, G Savitha, P Dominiak, K Wozniak, JN Moorthy Angewandte Chemie International Edition 44 (14), 2115-2119, 2005 | 167 | 2005 |
Carbon monoxide-promoted carbene insertion into the aryl substituent of an N-heterocyclic carbene ligand: Buchner reaction in a ruthenium carbene complex BR Galan, M Gembicky, PM Dominiak, JB Keister, ST Diver Journal of the American Chemical Society 127 (45), 15702-15703, 2005 | 136 | 2005 |
Neutral and ionic hydrogen bonding in Schiff bases PM Dominiak, E Grech, G Barr, S Teat, P Mallinson, K Woźniak Chemistry-A European Journal 9 (4), 963-970, 2003 | 135 | 2003 |
Quantum crystallography: Current developments and future perspectives A Genoni, L Bučinský, N Claiser, J Contreras‐García, B Dittrich, ... Chemistry–A European Journal 24 (43), 10881-10905, 2018 | 134 | 2018 |
New version of the theoretical databank of transferable aspherical pseudoatoms, UBDB2011–towards nucleic acid modelling KN Jarzembska, PM Dominiak Acta Crystallographica Section A: Foundations of Crystallography 68 (1), 139-147, 2012 | 117 | 2012 |
Towards the best model for H atoms in experimental charge-density refinement AA Hoser, PM Dominiak, K Woźniak Acta Crystallographica Section A: Foundations of Crystallography 65 (4), 300-311, 2009 | 102 | 2009 |
Investigation into Factors Influencing Stereoselectivity in the Reactions of Heterocycles with Donor− Acceptor-Substituted Rhodium Carbenoids SJ Hedley, DL Ventura, PM Dominiak, CL Nygren, HML Davies The Journal of organic chemistry 71 (14), 5349-5356, 2006 | 102 | 2006 |
Continua of interactions between pairs of atoms in molecular crystals PM Dominiak, A Makal, PR Mallinson, K Trzcinska, J Eilmes, E Grech, ... Chemistry-A European Journal 12 (7), 1941-1949, 2006 | 89 | 2006 |
Verification of structural and electrostatic properties obtained by the use of different pseudoatom databases JM Bąk, S Domagała, C Hübschle, C Jelsch, B Dittrich, PM Dominiak Acta Crystallographica Section A: Foundations of Crystallography 67 (2), 141-153, 2011 | 86 | 2011 |
From a single molecule to molecular crystal architectures: Structural and energetic studies of selected uracil derivatives KN Jarzembska, M Kubsik, R Kamiński, K Woźniak, PM Dominiak Crystal Growth & Design 12 (5), 2508-2524, 2012 | 71 | 2012 |
Hirshfeld atom refinement for modelling strong hydrogen bonds M Woińska, D Jayatilaka, MA Spackman, AJ Edwards, PM Dominiak, ... Acta Crystallographica Section A 70 (5), 483-498, 2014 | 70 | 2014 |
Combining crystallographic information and an aspherical-atom data bank in the evaluation of the electrostatic interaction energy in an enzyme–substrate complex: influenza … PM Dominiak, A Volkov, AP Dominiak, KN Jarzembska, P Coppens Acta Crystallographica Section D: Biological Crystallography 65 (5), 485-499, 2009 | 61 | 2009 |
Validation of X‐ray Wavefunction Refinement M Woińska, D Jayatilaka, B Dittrich, R Flaig, P Luger, K Woźniak, ... ChemPhysChem 18 (23), 3334-3351, 2017 | 56 | 2017 |
Experimental charge-density study of paracetamol–multipole refinement in the presence of a disordered methyl group JM Bąk, PM Dominiak, CC Wilson, K Woźniak Acta Crystallographica Section A: Foundations of Crystallography 65 (6), 490-500, 2009 | 52 | 2009 |
Finding optimal radial-function parameters for S atoms in the Hansen–Coppens multipole model through refinement of theoretical densities PM Dominiak, P Coppens Acta Crystallographica Section A: Foundations of Crystallography 62 (3), 224-227, 2006 | 50 | 2006 |
Structural variability and the nature of intermolecular interactions in watson− crick B-DNA base pairs Z Czyznikowska, RW Góra, R Zalesny, P Lipkowski, KN Jarzembska, ... The Journal of Physical Chemistry B 114 (29), 9629-9644, 2010 | 46 | 2010 |
Electrostatic interactions in aminoglycoside-RNA complexes M Kulik, AM Goral, M Jasiński, PM Dominiak, J Trylska Biophysical journal 108 (3), 655-665, 2015 | 43 | 2015 |
Sunitinib: from charge-density studies to interaction with proteins M Malińska, KN Jarzembska, AM Goral, A Kutner, K Woźniak, ... Acta Crystallographica Section D: Biological Crystallography 70 (5), 1257-1270, 2014 | 41 | 2014 |