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High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites

Yongjin Lee, Senja D. Barthel, Paweł Dłotko, Seyed Mohamad Moosavi, Kathryn Hess, Berend Smit, Pawel Dlotko Orcid Logo

Journal of Chemical Theory and Computation, Volume: 14, Issue: 8, Pages: 4427 - 4437

Swansea University Author: Pawel Dlotko Orcid Logo

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DOI (Published version): 10.1021/acs.jctc.8b00253

Published in: Journal of Chemical Theory and Computation
ISSN: 1549-9618 1549-9626
Published: 2018
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URI: https://cronfa.swan.ac.uk/Record/cronfa44307
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first_indexed 2018-09-18T18:56:57Z
last_indexed 2018-10-26T13:16:10Z
id cronfa44307
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spelling 2018-10-26T09:11:25.9169009 v2 44307 2018-09-18 High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites 403ec9c6f5967333948eabebe06a75f5 0000-0001-5352-3102 Pawel Dlotko Pawel Dlotko true false 2018-09-18 SMA Journal Article Journal of Chemical Theory and Computation 14 8 4427 4437 1549-9618 1549-9626 31 12 2018 2018-12-31 10.1021/acs.jctc.8b00253 COLLEGE NANME Mathematics COLLEGE CODE SMA Swansea University 2018-10-26T09:11:25.9169009 2018-09-18T13:20:34.2609108 Faculty of Science and Engineering School of Mathematics and Computer Science - Mathematics Yongjin Lee 1 Senja D. Barthel 2 Paweł Dłotko 3 Seyed Mohamad Moosavi 4 Kathryn Hess 5 Berend Smit 6 Pawel Dlotko 0000-0001-5352-3102 7 0044307-18092018132126.pdf LeeHighThroughputScreeningApproach2018.pdf 2018-09-18T13:21:26.6670000 Output 9521059 application/pdf Version of Record true 2018-09-18T00:00:00.0000000 This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes. true eng
title High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites
spellingShingle High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites
Pawel Dlotko
title_short High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites
title_full High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites
title_fullStr High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites
title_full_unstemmed High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites
title_sort High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites
author_id_str_mv 403ec9c6f5967333948eabebe06a75f5
author_id_fullname_str_mv 403ec9c6f5967333948eabebe06a75f5_***_Pawel Dlotko
author Pawel Dlotko
author2 Yongjin Lee
Senja D. Barthel
Paweł Dłotko
Seyed Mohamad Moosavi
Kathryn Hess
Berend Smit
Pawel Dlotko
format Journal article
container_title Journal of Chemical Theory and Computation
container_volume 14
container_issue 8
container_start_page 4427
publishDate 2018
institution Swansea University
issn 1549-9618
1549-9626
doi_str_mv 10.1021/acs.jctc.8b00253
college_str Faculty of Science and Engineering
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hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Mathematics and Computer Science - Mathematics{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Mathematics and Computer Science - Mathematics
document_store_str 1
active_str 0
published_date 2018-12-31T03:55:33Z
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