Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling N Casati, A Genoni, B Meyer, A Krawczuk, P Macchi Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2017 | 62 | 2017 |
PolaBer: a program to calculate and visualize distributed atomic polarizabilities based on electron density partitioning A Krawczuk, D Pérez, P Macchi Journal of Applied Crystallography 47 (4), 1452-1458, 2014 | 62 | 2014 |
Charge density analysis for crystal engineering A Krawczuk, P Macchi Chemistry Central Journal 8, 1-15, 2014 | 58 | 2014 |
Polymorphism of urea–barbituric acid co-crystals M Gryl, A Krawczuk, K Stadnicka Acta Crystallographica Section B: Structural Science 64 (5), 623-632, 2008 | 58 | 2008 |
Collective breathing in an eightfold interpenetrated metal–organic framework: from mechanistic understanding towards threshold sensing architectures K Roztocki, F Formalik, A Krawczuk, I Senkovska, B Kuchta, S Kaskel, ... Angewandte Chemie International Edition 59 (11), 4491-4497, 2020 | 55 | 2020 |
Distributed atomic polarizabilities of amino acids and their hydrogen-bonded aggregates LHR Dos Santos, A Krawczuk, P Macchi The Journal of Physical Chemistry A 119 (13), 3285-3298, 2015 | 45 | 2015 |
QTAIM-based scheme for describing the linear and nonlinear optical susceptibilities of molecular crystals composed of molecules with complex shapes T Seidler, A Krawczuk, B Champagne, K Stadnicka The Journal of Physical Chemistry C 120 (8), 4481-4494, 2016 | 32 | 2016 |
Distributed atomic polarizabilities from electron density. 1. Motivations and Theory A Krawczuk-Pantula, D Pérez, P Macchi Trans Amer Cryst Ass 42, 1-25, 2012 | 32 | 2012 |
Charge-density analysis in polymorphs of urea–barbituric acid co-crystals M Gryl, A Krawczuk-Pantula, K Stadnicka Acta Crystallographica Section B: Structural Science 67 (2), 144-154, 2011 | 32 | 2011 |
Multi-component crystals: synthesis, concepts, function S Aitipamula, I Antonijevic, JB Baruah, OB Berryman, EV Boldyreva, ... Walter de Gruyter GmbH & Co KG, 2017 | 24 | 2017 |
A bio-relevant supramolecular Co (ii)-complex for selective fluorescence sensing of μM range inorganic As (iii) in aqueous medium and its intracellular tracking in bacterial … S Dhibar, P Yadav, T Paul, K Sarkar, AP Chattopadhyay, A Krawczuk, ... Dalton Transactions 48 (13), 4362-4369, 2019 | 23 | 2019 |
Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives: l-Histidinium Hydrogen Oxalate AS Chimpri, M Gryl, LHR Dos Santos, A Krawczuk, P Macchi Crystal growth & design 13 (7), 2995-3010, 2013 | 23 | 2013 |
Malleable electronic structure of chloranilic acid and its species determined by X-ray charge density studies V Vukovic, K Molčanov, C Jelsch, E Wenger, A Krawczuk, M Juric, ... Crystal growth & design 19 (5), 2802-2810, 2019 | 22 | 2019 |
Electron density distribution of urea in co-crystals with rigid and flexible dicarboxylic acids A Krawczuk, M Gryl, MB Pitak, K Stadnicka Crystal Growth & Design 15 (11), 5578-5592, 2015 | 16 | 2015 |
The polarizability of organometallic bonds P Macchi, A Krawczuk Computational and Theoretical Chemistry 1053, 165-172, 2015 | 16 | 2015 |
Hydrogen bonding in diaquatetrakis (urea-κO) MII dinitrates, with M= Ni and Co A Krawczuk, K Stadnicka Acta Crystallographica Section C: Crystal Structure Communications 63 (10 …, 2007 | 14 | 2007 |
Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure V Milašinović, K Molčanov, A Krawczuk, NE Bogdanov, BA Zakharov, ... IUCrJ 8 (4), 644-654, 2021 | 12 | 2021 |
Crystal field effects on atomic and functional-group distributed polarizabilities of molecular materials RF Ligorio, A Krawczuk, LHR Dos Santos The Journal of Physical Chemistry A 124 (48), 10008-10018, 2020 | 12 | 2020 |
Two-electron multicenter bonding (‘pancake bonding’) in dimers of 5, 6-dichloro-2, 3-dicyanosemiquinone (DDQ) radical anions V Milašinović, A Krawczuk, K Molčanov, B Kojić-Prodić Crystal growth & design 20 (8), 5435-5443, 2020 | 12 | 2020 |
One-step introduction of terminal sulfonic groups into a proton-conducting metal–organic framework by concerted deprotonation–metalation–hydrolysis reaction M Szufla, K Roztocki, A Krawczuk, D Matoga Dalton Transactions 49 (29), 9953-9956, 2020 | 12 | 2020 |