Department of Physical and Macromolecular Chemistry
Faculty of Science, Charles University
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Research groups
Biophysical Chemistry of Protein Complexes
Electrophoresis & Chromatography
Heterogeneous Catalysis and Advanced Materials
MacroMolecular Modeling (MaMoMo)
(Nano)materials modeling
Polymer Synthesis and Biomaterials
Porous Polymers
Soft Matter
Soft Matter Theory
Ultrafast Dynamics in Quantum Materials
Multidimensional Materials
Sustainable Electrochemical Systems Lab (SESL)
CUCAM project
Hydragon Project
Czech Zeolite Association
Zeolites
Operando modelling of zeolite hydrolysis
Modelling of zeolite synthesis processes
NMR characterization of zeolites
Machine Learning-assisted materials discovery
Selected publications on the topic
Publications
(
4
of
4
)
2023
C. Lei
,
A. Erlebach
,
F. Brivio
,
L. Grajciar
,
Z. Tosner
,
C. J. Heard
and
P. Nachtigall
The need for operando modelling of 27Al NMR in zeolites: the effect of temperature, topology and water
Chem. Sci.
14
, 2023
DOI
BibTeX
M. Jin
,
M. Ravi
,
C. Lei
,
C. J. Heard
,
F. Brivio
,
Z. Tosner
,
L. Grajciar
,
J. A. van Bokhoven
et al.
Dynamical Equilibrium between Bronsted and Lewis Sites in Zeolites: Framework-Associated Octahedral Aluminum
Angewandte Chemie International Edition
62
(31), 2023
DOI
BibTeX
ab initio molecular dynamics
octahedral aluminum
solid-state nmr
zeolite hydrolysis
zeolites
2020
C. J. Heard
,
L. Grajciar
,
F. Uhlík
,
M. Shamzhy
,
M. Opanasenko
,
J. Čejka
and
P. Nachtigall
Zeolite (In)Stability under Aqueous or Steaming Conditions
Wiley, 2020
DOI
BibTeX
2019
C. J. Heard
,
L. Grajciar
,
C. M. Rice
,
S. M. Pugh
,
P. Nachtigall
,
S. E. Ashbrook
and
R. E. Morris
Fast room temperature lability of aluminosilicate zeolites
Nature Communications
10
(1), 2019
DOI
BibTeX
