Hirshfeld atom like refinement with alternative electron density partitions

por Chodkiewicz, Michał Leszek, Woińska, Magdalena, Woźniak, Krzysztof
Publicado 2020

Fragmentation and transferability in Hirshfeld atom refinement

por Chodkiewicz, Michał, Pawlędzio, Sylwia, Woińska, Magdalena, Woźniak, Krzysztof
Publicado 2022

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

por Kulik, Marta, Chodkiewicz, Michał Leszek, Dominiak, Paulina Maria
Publicado 2022

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

por Woińska, Magdalena, Pawlędzio, Sylwia, Chodkiewicz, Michał L., Woźniak, Krzysztof
Publicado 2023

Refinement of organic crystal structures with multipolar electron scattering factors

por Gruza, Barbara, Chodkiewicz, Michał Leszek, Krzeszczakowska, Joanna, Dominiak, Paulina Maria
Publicado 2020

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

por Rybicka, Paulina Maria, Kulik, Marta, Chodkiewicz, Michał Leszek, Dominiak, Paulina Maria
Publicado 2022

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

por Jha, Kunal Kumar, Kleemiss, Florian, Chodkiewicz, Michał Leszek, Dominiak, Paulina Maria
Publicado 2023

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

por Jha, Kunal Kumar, Gruza, Barbara, Sypko, Aleksandra, Kumar, Prashant, Chodkiewicz, Michał Leszek, Dominiak, Paulina Maria
Publicado 2022

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

por Chodkiewicz, Michal L., Gajda, Roman, Lavina, Barbara, Tkachev, Sergey, Prakapenka, Vitali B., Dera, Przemyslaw, Wozniak, Krzysztof
Publicado 2022

Expanding Lorentz and spectrum corrections to large volumes of reciprocal space for single-crystal time-of-flight neutron diffraction. Corrigendum

por Michels-Clark, Tara M., Savici, Andrei T., Lynch, Vickie E., Wang, Xiaoping, Chodkiewicz, Michal, Weber, Thomas, Bürgi, Hans-Beat, Hoffmann, Christina M.
Publicado 2017