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Barthel, Senja
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Online (55)
Mediatypes
Articles (Online) (14)
OpenAccess-fulltext (41)
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1
Predicting Ion Diffusion from the Shape of Potential Energy..:
Gustafsson, Hannes
;
Kozdra, Melania
;
Smit, Berend
..
Journal of Chemical Theory and Computation. 20 (2023) 1 - p. 18-29 , 2023
Link:
https://doi.org/10.1021/..
?
2
SELFIES and the future of molecular string representations:
Krenn, Mario
;
Ai, Qianxiang
;
Barthel, Senja
...
Patterns. 3 (2022) 10 - p. 100588 , 2022
Link:
https://doi.org/10.1016/..
?
3
Energy-based descriptors for photo-catalytically active met..:
Fumanal, Maria
;
Capano, Gloria
;
Barthel, Senja
..
Journal of Materials Chemistry A. 8 (2020) 8 - p. 4473-4482 , 2020
Link:
https://doi.org/10.1039/..
?
4
Automated Multiscale Approach To Predict Self-Diffusion fro..:
Mace, Amber
;
Barthel, Senja
;
Smit, Berend
Journal of Chemical Theory and Computation. 15 (2019) 4 - p. 2127-2141 , 2019
Link:
https://doi.org/10.1021/..
?
5
DORI Reveals the Influence of Noncovalent Interactions on C..:
Meyer, Benjamin
;
Barthel, Senja
;
Mace, Amber
...
The Journal of Physical Chemistry Letters. 10 (2019) 7 - p. 1482-1488 , 2019
Link:
https://doi.org/10.1021/..
?
6
Distinguishing Metal–Organic Frameworks:
Barthel, Senja
;
Alexandrov, Eugeny V.
;
Proserpio, Davide M.
.
Crystal Growth & Design. 18 (2018) 3 - p. 1738-1747 , 2018
Link:
https://doi.org/10.1021/..
?
7
High-Throughput Screening Approach for Nanoporous Materials..:
Lee, Yongjin
;
Barthel, Senja D.
;
Dłotko, Paweł
...
Journal of Chemical Theory and Computation. 14 (2018) 8 - p. 4427-4437 , 2018
Link:
https://doi.org/10.1021/..
?
8
Distinguishing metal–organic frameworks:
Barthel, Senja
;
Alexandrov, Eugeny V.
;
Proserpio, Davide M.
.
Acta Crystallographica Section A Foundations and Advances. 74 (2018) a2 - p. e152-e152 , 2018
Link:
https://doi.org/10.1107/..
?
9
Generating carbon schwarzites via zeolite-templating:
Braun, Efrem
;
Lee, Yongjin
;
Moosavi, Seyed Mohamad
...
Proceedings of the National Academy of Sciences. 115 (2018) 35 - p. , 2018
Link:
https://doi.org/10.1073/..
?
10
Generating carbon schwarzites via zeolite-templating:
Braun, Efrem
;
Lee, Yongjin
;
Moosavi, Seyed Mohamad
...
Proceedings of the National Academy of Sciences of the United States of America. 115 (2018) 35 - p. E8116-E8124 , 2018
Link:
https://www.jstor.org/st..
?
11
Erratum to: Toroidal embeddings of abstractly planar graphs..:
Barthel, Senja
;
Buck, Dorothy
Journal of Mathematical Chemistry. 55 (2017) 9 - p. 1887-1887 , 2017
Link:
https://doi.org/10.1007/..
?
12
Quantifying similarity of pore-geometry in nanoporous mater..:
Lee, Yongjin
;
Barthel, Senja D.
;
Dłotko, Paweł
...
Nature Communications. 8 (2017) 1 - p. , 2017
Link:
https://doi.org/10.1038/..
?
13
Accurate Characterization of the Pore Volume in Microporous..:
Ongari, Daniele
;
Boyd, Peter G.
;
Barthel, Senja
...
Langmuir. 33 (2017) 51 - p. 14529-14538 , 2017
Link:
https://doi.org/10.1021/..
?
14
Toroidal embeddings of abstractly planar graphs are knotted..:
Barthel, Senja
;
Buck, Dorothy
Journal of Mathematical Chemistry. 53 (2015) 8 - p. 1772-1790 , 2015
Link:
https://doi.org/10.1007/..
?
15
Predicting Ion Diffusion from the Shape of Potential Energy..:
Gustafsson, Hannes
;
Kozdra, Melania
;
Smit, Berend
..
Journal of Chemical Theory and Computation, 1549-9618, 2024, 20:1, s. 18-29. , 2024
Link:
http://urn.kb.se/resolve..
1-15