Michał Leszek Chodkiewicz

Research interests

Publications

• Towards improved accuracy of Hirshfeld atom refinement with an alternative electron density partition

  IUCrJ · 2024 · 10.1107/s2052252524011242

• Advancing dynamic quantum crystallography: enhanced models for accurate structures and thermodynamic properties

  IUCrJ · 2024 · 10.1107/s2052252524011862

• Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data

  IUCrJ · 2024 · 10.1107/s2052252524006808

• Transferable Hirshfeld atom model for rapid evaluation of aspherical atomic form factors

  IUCrJ · 2024 · 10.1107/s2052252524001507

• Enhancing hydrogen positions in X-ray structures of transition metal hydride complexes with dynamic quantum crystallography

  IUCrJ · 2023 · 10.1107/s205225252300951x

• Hirshfeld Atom Refinement of Metal–Organic Complexes: Treatment of Hydrogen Atoms Bonded to Transition Metals

  The Journal of Physical Chemistry A · 2023 · 10.1021/acs.jpca.2c06998

• Hirshfeld atom refinement of metal–organic frameworks for accurate positioning of hydrogen atoms and disorder analysis

  Chemical Communications · 2023 · 10.1039/d3cc01369c

• Fragmentation and transferability in Hirshfeld atom refinement

  IUCrJ · 2022 · 10.1107/s2052252522000690

• Accurate crystal structure of ice VI from X-ray diffraction with Hirshfeld atom refinement

  IUCrJ · 2022 · 10.1107/s2052252522006662

• Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Restructurization and Extension of UBDB

  Journal of Chemical Information and Modeling · 2022 · 10.1021/acs.jcim.2c00144

• Aspherical atom refinements on X-ray data of diverse structures including disordered and covalent organic framework systems: a time–accuracy trade-off

  Journal of Applied Crystallography · 2022 · 10.1107/s1600576722010883

• Theoretical 3D electron diffraction electrostatic potential maps of proteins modeled with a multipolar pseudoatom data bank

  Acta Crystallographica Section D Structural Biology · 2022 · 10.1107/s2059798322005836

• Multipolar Atom Types from Theory and Statistical Clustering (MATTS) Data Bank: Impact of Surrounding Atoms on Electron Density from Cluster Analysis

  Journal of Chemical Information and Modeling · 2022 · 10.1021/acs.jcim.2c00145

• Refinements on electron diffraction data of β-glycine in MoPro: a quest for an improved structure model

  Journal of Applied Crystallography · 2021 · 10.1107/s160057672100580x

• Towards accurate and precise positions of hydrogen atoms bonded to heavy metal atoms

  Chemical Communications · 2021 · 10.1039/d0cc07661a

• Hirshfeld atom like refinement with alternative electron density partitions

  IUCrJ · 2020 · 10.1107/s2052252520013603

• TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data

  Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2020 · 10.1107/s2052520620002917

• Refinement of organic crystal structures with multipolar electron scattering factors

  Acta Crystallographica Section A Foundations and Advances · 2019 · 10.1107/s2053273319015304

• DiSCaMB: a software library for aspherical atom model X-ray scattering factor calculations with CPUs and GPUs

  Journal of Applied Crystallography · 2017 · 10.1107/s1600576717015825

• New Directions in Pseudoatom-Based X-Ray Charge Density Analysis

  Structure and bonding · 2010 · 10.1007/430_2010_32

• On the basis‐set dependence of local and integrated electron density properties: Application of a new computer program for quantum‐chemical density analysis

  Journal of Computational Chemistry · 2008 · 10.1002/jcc.21160

• Bond energy, aromatic stabilization energy and strain in IPR fullerenes

  Chemical Communications · 2004 · 10.1039/b408903k

Current projects

No projects listed.