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Grajciar, Lukáš
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1

A machine learning approach for dynamical modelling of Al d..:

Chen, Lei ; Bornes, Carlos ; Bengtsson, Oscar...
Faraday Discussions.  , 2024
Link: https://doi.org/10.1039/..
 
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2

The role of defects in high-silica zeolite hydrolysis and f..:

Liu, Mingxiu ; Grajciar, Lukáš ; Heard, Christopher J.
Microporous and Mesoporous Materials.  377 (2024)  - p. 113219 , 2024
Link: https://doi.org/10.1016/..
 
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3

Migration of zeolite-encapsulated subnanometre platinum clu..:

Heard, Christopher J. ; Grajciar, Lukáš ; Erlebach, Andreas
Nanoscale.  16 (2024)  16 - p. 8108-8118 , 2024
Link: https://doi.org/10.1039/..
 
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4

A reactive neural network framework for water-loaded acidic..:

Erlebach, Andreas ; Šípka, Martin ; Saha, Indranil...
Nature Communications.  15 (2024)  1 - p. , 2024
Link: https://doi.org/10.1038/..
 
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5

The need for operando modelling of 27Al NMR in zeolites: th..:

Lei, Chen ; Erlebach, Andreas ; Brivio, Federico...
Chemical Science.  14 (2023)  34 - p. 9101-9113 , 2023
Link: https://doi.org/10.1039/..
 
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6

Correction: The need for operando modelling of 27Al NMR in ..:

Lei, Chen ; Erlebach, Andreas ; Brivio, Federico...
Chemical Science.  14 (2023)  47 - p. 13987-13987 , 2023
Link: https://doi.org/10.1039/..
 
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7

Constructing Collective Variables Using Invariant Learned R..:

Šípka, Martin ; Erlebach, Andreas ; Grajciar, Lukáš
Journal of Chemical Theory and Computation.  19 (2023)  3 - p. 887-901 , 2023
Link: https://doi.org/10.1021/..
 
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8

Dynamical Equilibrium between Brønsted and Lewis Sites in Z..:

Jin, Mengting ; Ravi, Manoj ; Lei, Chen...
Angewandte Chemie.  135 (2023)  31 - p. , 2023
Link: https://doi.org/10.1002/..
 
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9

Dynamical Equilibrium between Brønsted and Lewis Sites in Z..:

Jin, Mengting ; Ravi, Manoj ; Lei, Chen...
Angewandte Chemie International Edition.  62 (2023)  31 - p. , 2023
Link: https://doi.org/10.1002/..
 
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10

A themed collection in memory of Petr Nachtigall:

Grajciar, Lukáš ; Heard, Christopher J. ; Morris, Russel E...
RSC Advances.  13 (2023)  13 - p. 8942-8942 , 2023
Link: https://doi.org/10.1039/..
 
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11

Accurate large-scale simulations of siliceous zeolites by n..:

Erlebach, Andreas ; Nachtigall, Petr ; Grajciar, Lukáš
npj Computational Materials.  8 (2022)  1 - p. , 2022
Link: https://doi.org/10.1038/..
 
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12

Correction to Mechanism of Zeolite Hydrolysis under Basic C..:

Jin, Mengting ; Liu, Mingxiu ; Nachtigall, Petr..
Chemistry of Materials.  34 (2022)  4 - p. 1986-1986 , 2022
Link: https://doi.org/10.1021/..
 
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13

Doping isolated one-dimensional antiferromagnetic semicondu..:

Li, Shuo ; He, Junjie ; Nachtigall, Petr..
Journal of Materials Chemistry C.  9 (2021)  9 - p. 3122-3128 , 2021
Link: https://doi.org/10.1039/..
 
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14

Mechanism of Zeolite Hydrolysis under Basic Conditions:

Jin, Mengting ; Liu, Mingxiu ; Nachtigall, Petr..
Chemistry of Materials.  33 (2021)  23 - p. 9202-9212 , 2021
Link: https://doi.org/10.1021/..
 
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15

The Role of Water Loading and Germanium Content in Germanos..:

Jin, Mengting ; Veselý, Ondřej ; Heard, Christopher James...
The Journal of Physical Chemistry C.  125 (2021)  43 - p. 23744-23757 , 2021
Link: https://doi.org/10.1021/..
 
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