{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,24]],"date-time":"2026-09-24T21:02:27Z","timestamp":1790283747117,"version":"4.1.0"},"reference-count":51,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2023,3,6]],"date-time":"2023-03-06T00:00:00Z","timestamp":1678060800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001602","name":"Science Foundation Ireland","doi-asserted-by":"publisher","award":["12\/RC\/2275_P2"],"award-info":[{"award-number":["12\/RC\/2275_P2"]}],"id":[{"id":"10.13039\/501100001602","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001602","name":"Science Foundation Ireland","doi-asserted-by":"publisher","award":["17\/RC-PhD\/3487"],"award-info":[{"award-number":["17\/RC-PhD\/3487"]}],"id":[{"id":"10.13039\/501100001602","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. C"],"published-print":{"date-parts":[[2023,3,23]]},"DOI":"10.1021\/acs.jpcc.2c08212","type":"journal-article","created":{"date-parts":[[2023,3,6]],"date-time":"2023-03-06T12:18:28Z","timestamp":1678105108000},"page":"5533-5543","source":"Crossref","is-referenced-by-count":6,"title":["Decoding Supramolecular Packing Patterns from Computed Anisotropic Deformability Maps of Molecular Crystals"],"prefix":"10.1021","volume":"127","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2878-210X","authenticated-orcid":true,"given":"Reabetswe R.","family":"Zwane","sequence":"first","affiliation":[{"name":"School of Chemical Sciences, Dublin City University, Glasnevin, Dublin 9, Ireland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6820-0899","authenticated-orcid":true,"given":"Joaquin","family":"Klug","sequence":"additional","affiliation":[{"name":"School of Chemical Sciences, Dublin City University, Glasnevin, Dublin 9, Ireland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2442-4022","authenticated-orcid":true,"given":"Sarah","family":"Guerin","sequence":"additional","affiliation":[{"name":"Bernal Institute, Department of Physics, University of Limerick, Limerick V94 T9PX, Ireland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2340-5441","authenticated-orcid":true,"given":"Damien","family":"Thompson","sequence":"additional","affiliation":[{"name":"Bernal Institute, Department of Physics, University of Limerick, Limerick V94 T9PX, Ireland"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Anthony M.","family":"Reilly","sequence":"additional","affiliation":[{"name":"School of Chemical Sciences, Dublin City University, Glasnevin, Dublin 9, Ireland"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2023,3,6]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b05118"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/cg060398w"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1039\/c3ce41266k"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1039\/c1sc00430a"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1557\/jmr.2012.261"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201205002"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.2123"},{"key":"ref8\/cit8","volume-title":"Reference Module in Materials Science and Materials Engineering","author":"Baker S. P.","year":"2016"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-matsci-070218-010143"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/ar500144s"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-319-42913-7_6-1","volume-title":"van der Waals Interactions in Material Modelling","author":"Hermann J.","year":"2018"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1107\/s2052520616007447"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1063\/1.4812819"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1107\/s205252061303268x"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","DOI":"10.1119\/1.1987046","volume-title":"Thermodynamics of Crystals","author":"Wallace D. C.","year":"1972"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2013.03.010"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1107\/s0021889807067908"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1524\/zkri.220.5.567.65075"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1103\/physrevlett.77.3865"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1103\/physrevlett.102.073005"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1103\/physrevlett.108.236402"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1063\/1.4865104"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1103\/physrevlett.102.073005"},{"key":"ref24\/cit24","unstructured":"Andrew, W. Elastic Constants Code. https:\/\/github.com\/andreww\/elastic-constants (accessed Aug 13, 2020)."},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.pepi.2011.10.002"},{"key":"ref26\/cit26","unstructured":"Wolfram\nResearch; Wolfram Research,\nInc.: Champaign, Illinois, 2022."},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1063\/1.4802770"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1107\/s0021889804027074"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.113.055701"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1103\/physrevlett.117.115702"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.cgd.6b01038"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.cgd.7b00673"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1103\/physrevlett.108.236402"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/anie.200603373"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/cg100241c"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/cg300358n"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1103\/physrevb.90.224104"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1039\/c5cc08982d"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c00119"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.1294"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.1725566"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1088\/0953-8984\/28\/27\/275201"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.2145926"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1007\/s00161-018-0635-9"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1524\/zkri.216.6.339.20342"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2007.02.034"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/adma.200900533"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1023\/a:1011954800246"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1039\/c1cp20139e"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/ja056455b"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1063\/5.0088027"}],"container-title":["The Journal of Physical Chemistry C"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcc.2c08212","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcc.2c08212","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,23]],"date-time":"2023-03-23T08:56:22Z","timestamp":1679561782000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpcc.2c08212"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,3,6]]},"references-count":51,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2023,3,23]]}},"alternative-id":["10.1021\/acs.jpcc.2c08212"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpcc.2c08212","relation":{},"ISSN":["1932-7447","1932-7455"],"issn-type":[{"value":"1932-7447","type":"print"},{"value":"1932-7455","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,3,6]]}}}