{"id":"https://openalex.org/W4210680887","doi":"https://doi.org/10.3390/computation10020018","title":"Impact of Charge-Resonance Excitations on CT-Mediated J-Type Aggregation in Singlet and Triplet Exciton States of Perylene Di-Imide Aggregates: A TDDFT Investigation","display_name":"Impact of Charge-Resonance Excitations on CT-Mediated J-Type Aggregation in Singlet and Triplet Exciton States of Perylene Di-Imide Aggregates: A TDDFT Investigation","publication_year":2022,"publication_date":"2022-01-25","ids":{"openalex":"https://openalex.org/W4210680887","doi":"https://doi.org/10.3390/computation10020018"},"language":"en","primary_location":{"id":"doi:10.3390/computation10020018","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation10020018","pdf_url":"https://www.mdpi.com/2079-3197/10/2/18/pdf?version=1643188778","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2079-3197/10/2/18/pdf?version=1643188778","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5010512243","display_name":"Yasi Dai","orcid":"https://orcid.org/0000-0002-4508-7547"},"institutions":[{"id":"https://openalex.org/I9360294","display_name":"University of Bologna","ror":"https://ror.org/01111rn36","country_code":"IT","type":"education","lineage":["https://openalex.org/I9360294"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Yasi Dai","raw_affiliation_strings":["Dipartimento di Chimica \u201cGiacomo Ciamician\u201d, Universit\u00e0 di Bologna, 40126 Bologna, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica \u201cGiacomo Ciamician\u201d, Universit\u00e0 di Bologna, 40126 Bologna, Italy","institution_ids":["https://openalex.org/I9360294"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072322046","display_name":"Maria Zubiria\u2010Ulacia","orcid":"https://orcid.org/0000-0003-4795-9107"},"institutions":[{"id":"https://openalex.org/I47686490","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40","country_code":"ES","type":"other","lineage":["https://openalex.org/I47686490"]},{"id":"https://openalex.org/I169108374","display_name":"University of the Basque Country","ror":"https://ror.org/000xsnr85","country_code":"ES","type":"education","lineage":["https://openalex.org/I169108374"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Maria Zubiria-Ulacia","raw_affiliation_strings":["Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain","Universidad del Pa\u0131s Vasco/Euskal Herriko Unibertsitatea, Manuel Lardizabal 3, 20018 Donostia-San Sebastian, Euskadi, Spain"],"affiliations":[{"raw_affiliation_string":"Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain","institution_ids":["https://openalex.org/I47686490"]},{"raw_affiliation_string":"Universidad del Pa\u0131s Vasco/Euskal Herriko Unibertsitatea, Manuel Lardizabal 3, 20018 Donostia-San Sebastian, Euskadi, Spain","institution_ids":["https://openalex.org/I169108374"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045130376","display_name":"David Casanova","orcid":"https://orcid.org/0000-0002-8893-7089"},"institutions":[{"id":"https://openalex.org/I47686490","display_name":"Donostia International Physics Center","ror":"https://ror.org/02e24yw40","country_code":"ES","type":"other","lineage":["https://openalex.org/I47686490"]},{"id":"https://openalex.org/I110594554","display_name":"Ikerbasque","ror":"https://ror.org/01cc3fy72","country_code":"ES","type":"other","lineage":["https://openalex.org/I110594554"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"David Casanova","raw_affiliation_strings":["Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain","IKERBASQUE, Basque Foundation for Science, 48009 Bilbao, Euskadi, Spain"],"affiliations":[{"raw_affiliation_string":"Donostia International Physics Center (DIPC), 20018 Donostia, Euskadi, Spain","institution_ids":["https://openalex.org/I47686490"]},{"raw_affiliation_string":"IKERBASQUE, Basque Foundation for Science, 48009 Bilbao, Euskadi, Spain","institution_ids":["https://openalex.org/I110594554"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5039404749","display_name":"Fabrizia Negri","orcid":"https://orcid.org/0000-0002-0359-0128"},"institutions":[{"id":"https://openalex.org/I4210155898","display_name":"National Interuniversity Consortium of Materials Science and Technology","ror":"https://ror.org/04k80k910","country_code":"IT","type":"education","lineage":["https://openalex.org/I4210155898"]},{"id":"https://openalex.org/I9360294","display_name":"University of Bologna","ror":"https://ror.org/01111rn36","country_code":"IT","type":"education","lineage":["https://openalex.org/I9360294"]}],"countries":["IT"],"is_corresponding":true,"raw_author_name":"Fabrizia Negri","raw_affiliation_strings":["Dipartimento di Chimica \u201cGiacomo Ciamician\u201d, Universit\u00e0 di Bologna, 40126 Bologna, Italy","INSTM, UdR Bologna, 40126 Bologna, Italy"],"affiliations":[{"raw_affiliation_string":"Dipartimento di Chimica \u201cGiacomo Ciamician\u201d, Universit\u00e0 di Bologna, 40126 Bologna, Italy","institution_ids":["https://openalex.org/I9360294"]},{"raw_affiliation_string":"INSTM, UdR Bologna, 40126 Bologna, Italy","institution_ids":["https://openalex.org/I4210155898"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5039404749"],"corresponding_institution_ids":["https://openalex.org/I4210155898","https://openalex.org/I9360294"],"apc_list":{"value":1400,"currency":"CHF","value_usd":1515},"apc_paid":{"value":1400,"currency":"CHF","value_usd":1515},"fwci":0.909,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.68107243,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"10","issue":"2","first_page":"18","last_page":"18"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12236","display_name":"Photoreceptor and optogenetics research","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T12236","display_name":"Photoreceptor and optogenetics research","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2804","display_name":"Cellular and Molecular Neuroscience"},"field":{"id":"https://openalex.org/fields/28","display_name":"Neuroscience"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10247","display_name":"Perovskite Materials and Applications","score":0.9984999895095825,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.9983000159263611,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/time-dependent-density-functional-theory","display_name":"Time-dependent density functional theory","score":0.8205744028091431},{"id":"https://openalex.org/keywords/exciton","display_name":"Exciton","score":0.7001843452453613},{"id":"https://openalex.org/keywords/singlet-fission","display_name":"Singlet fission","score":0.6369664072990417},{"id":"https://openalex.org/keywords/singlet-state","display_name":"Singlet state","score":0.5961172580718994},{"id":"https://openalex.org/keywords/intermolecular-force","display_name":"Intermolecular force","score":0.5791672468185425},{"id":"https://openalex.org/keywords/excited-state","display_name":"Excited state","score":0.5605432987213135},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.5505176782608032},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5266625285148621},{"id":"https://openalex.org/keywords/perylene","display_name":"Perylene","score":0.5162441730499268},{"id":"https://openalex.org/keywords/molecular-physics","display_name":"Molecular physics","score":0.413338840007782},{"id":"https://openalex.org/keywords/triplet-state","display_name":"Triplet state","score":0.4126882553100586},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.40300434827804565},{"id":"https://openalex.org/keywords/atomic-physics","display_name":"Atomic physics","score":0.28181540966033936},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.23142892122268677},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.22745898365974426},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.22690942883491516},{"id":"https://openalex.org/keywords/condensed-matter-physics","display_name":"Condensed matter physics","score":0.18106698989868164}],"concepts":[{"id":"https://openalex.org/C20853536","wikidata":"https://www.wikidata.org/wiki/Q4120992","display_name":"Time-dependent density functional theory","level":3,"score":0.8205744028091431},{"id":"https://openalex.org/C17729963","wikidata":"https://www.wikidata.org/wiki/Q858289","display_name":"Exciton","level":2,"score":0.7001843452453613},{"id":"https://openalex.org/C161522054","wikidata":"https://www.wikidata.org/wiki/Q17100192","display_name":"Singlet fission","level":4,"score":0.6369664072990417},{"id":"https://openalex.org/C33062035","wikidata":"https://www.wikidata.org/wiki/Q3296863","display_name":"Singlet state","level":3,"score":0.5961172580718994},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.5791672468185425},{"id":"https://openalex.org/C181500209","wikidata":"https://www.wikidata.org/wiki/Q215328","display_name":"Excited state","level":2,"score":0.5605432987213135},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5505176782608032},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5266625285148621},{"id":"https://openalex.org/C2779189646","wikidata":"https://www.wikidata.org/wiki/Q417674","display_name":"Perylene","level":3,"score":0.5162441730499268},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.413338840007782},{"id":"https://openalex.org/C76766466","wikidata":"https://www.wikidata.org/wiki/Q3036629","display_name":"Triplet state","level":3,"score":0.4126882553100586},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.40300434827804565},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.28181540966033936},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.23142892122268677},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.22745898365974426},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.22690942883491516},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.18106698989868164},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.3390/computation10020018","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation10020018","pdf_url":"https://www.mdpi.com/2079-3197/10/2/18/pdf?version=1643188778","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},{"id":"pmh:oai:addi.ehu.es:10810/55609","is_oa":true,"landing_page_url":"http://hdl.handle.net/10810/55609","pdf_url":null,"source":{"id":"https://openalex.org/S4306401964","display_name":"Communities in ADDI (University of the Basque Country)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I169108374","host_organization_name":"University of the Basque Country","host_organization_lineage":["https://openalex.org/I169108374"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:cris.unibo.it:11585/883999","is_oa":true,"landing_page_url":"https://hdl.handle.net/11585/883999","pdf_url":null,"source":{"id":"https://openalex.org/S4306402579","display_name":"Archivio istituzionale della ricerca (Alma Mater Studiorum Universit\u00e0 di Bologna)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210117483","host_organization_name":"Istituto di Ematologia di Bologna","host_organization_lineage":["https://openalex.org/I4210117483"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:doaj.org/article:4d4c112c6c18404aa44df2963e7767d0","is_oa":true,"landing_page_url":"https://doaj.org/article/4d4c112c6c18404aa44df2963e7767d0","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation, Vol 10, Iss 2, p 18 (2022)","raw_type":"article"},{"id":"pmh:oai:mdpi.com:/2079-3197/10/2/18/","is_oa":true,"landing_page_url":"https://dx.doi.org/10.3390/computation10020018","pdf_url":null,"source":{"id":"https://openalex.org/S4306400947","display_name":"MDPI (MDPI AG)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210097602","host_organization_name":"Multidisciplinary Digital Publishing Institute (Switzerland)","host_organization_lineage":["https://openalex.org/I4210097602"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Computation; Volume 10; Issue 2; Pages: 18","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.3390/computation10020018","is_oa":true,"landing_page_url":"https://doi.org/10.3390/computation10020018","pdf_url":"https://www.mdpi.com/2079-3197/10/2/18/pdf?version=1643188778","source":{"id":"https://openalex.org/S2738402919","display_name":"Computation","issn_l":"2079-3197","issn":["2079-3197"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computation","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.8700000047683716,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4210680887.pdf","grobid_xml":"https://content.openalex.org/works/W4210680887.grobid-xml"},"referenced_works_count":81,"referenced_works":["https://openalex.org/W1838157013","https://openalex.org/W1881885692","https://openalex.org/W1963740321","https://openalex.org/W1967745450","https://openalex.org/W1973336827","https://openalex.org/W1983765332","https://openalex.org/W1986989600","https://openalex.org/W1990345925","https://openalex.org/W1996359025","https://openalex.org/W1997935903","https://openalex.org/W1999351161","https://openalex.org/W2005885639","https://openalex.org/W2025027234","https://openalex.org/W2044578607","https://openalex.org/W2051402367","https://openalex.org/W2052571044","https://openalex.org/W2053616731","https://openalex.org/W2062852634","https://openalex.org/W2101036389","https://openalex.org/W2105564187","https://openalex.org/W2109380714","https://openalex.org/W2112850441","https://openalex.org/W2159355928","https://openalex.org/W2166705746","https://openalex.org/W2166775278","https://openalex.org/W2221709906","https://openalex.org/W2224860364","https://openalex.org/W2302398349","https://openalex.org/W2328106699","https://openalex.org/W2508845168","https://openalex.org/W2513756861","https://openalex.org/W2531647489","https://openalex.org/W2548892034","https://openalex.org/W2560839872","https://openalex.org/W2566553916","https://openalex.org/W2566597395","https://openalex.org/W2584403299","https://openalex.org/W2611937283","https://openalex.org/W2735630934","https://openalex.org/W2747760101","https://openalex.org/W2768755735","https://openalex.org/W2782686874","https://openalex.org/W2790497093","https://openalex.org/W2790677975","https://openalex.org/W2793319049","https://openalex.org/W2797333726","https://openalex.org/W2799566423","https://openalex.org/W2871154938","https://openalex.org/W2883435584","https://openalex.org/W2896391414","https://openalex.org/W2912278992","https://openalex.org/W2913232631","https://openalex.org/W2919376314","https://openalex.org/W2920942330","https://openalex.org/W2943318940","https://openalex.org/W2944554441","https://openalex.org/W2944830079","https://openalex.org/W2966788070","https://openalex.org/W2971393461","https://openalex.org/W2971656559","https://openalex.org/W2973200436","https://openalex.org/W2977241939","https://openalex.org/W2982035754","https://openalex.org/W3002575696","https://openalex.org/W3005448673","https://openalex.org/W3014200006","https://openalex.org/W3040584320","https://openalex.org/W3048835491","https://openalex.org/W3087511513","https://openalex.org/W3101680463","https://openalex.org/W3103612908","https://openalex.org/W3104042235","https://openalex.org/W3107656689","https://openalex.org/W3111222402","https://openalex.org/W3115704536","https://openalex.org/W3138681462","https://openalex.org/W3152615257","https://openalex.org/W3183608354","https://openalex.org/W3200964027","https://openalex.org/W4200533675","https://openalex.org/W6804197767"],"related_works":["https://openalex.org/W2739422648","https://openalex.org/W4385749294","https://openalex.org/W4220862459","https://openalex.org/W2316980099","https://openalex.org/W2081911835","https://openalex.org/W3112069569","https://openalex.org/W2605814488","https://openalex.org/W2002674606","https://openalex.org/W2348990831","https://openalex.org/W2053142667"],"abstract_inverted_index":{"The":[0,30,148],"modulation":[1],"of":[2,13,45,63,84,116,122,142,152,168],"intermolecular":[3,131],"interactions":[4],"upon":[5],"aggregation":[6],"induces":[7],"changes":[8],"in":[9,82,145,150],"excited":[10],"state":[11],"properties":[12],"organic":[14],"molecules":[15],"that":[16],"can":[17,25],"be":[18,26],"detrimental":[19],"for":[20,28,172,178,184],"some":[21],"optoelectronic":[22],"applications":[23],"but":[24],"exploited":[27],"others.":[29],"time-dependent":[31],"density":[32],"functional":[33],"theory":[34],"(TDDFT)":[35],"is":[36],"a":[37,69,98],"cost-effective":[38],"approach":[39,105],"to":[40,53,72,88,106],"determining":[41],"the":[42,60,64,74,104,113,130,134,166,169],"exciton":[43,76,120,180],"states":[44,77,86,121,160],"molecular":[46],"aggregates,":[47],"and":[48,93,112,118,157,161],"it":[49],"has":[50],"been":[51],"shown":[52],"provide":[54],"reliable":[55],"results":[56],"when":[57],"coupled":[58],"with":[59,90],"appropriate":[61],"choice":[62],"functional.":[65],"Here":[66],"we":[67],"apply":[68,103],"general":[70],"procedure":[71],"analyze":[73],"aggregates\u2019":[75],"derived":[78],"from":[79],"TDDFT":[80],"calculations":[81],"terms":[83,151],"diabatic":[85],"chosen":[87],"coincide":[89],"local":[91],"(LE)":[92],"charge-transfer":[94,114],"(CT)":[95],"excitations":[96,155],"within":[97],"restricted":[99],"orbital":[100],"space.":[101],"We":[102,127],"study":[107],"energy":[108],"profiles,":[109],"interstate":[110],"couplings,":[111],"character":[115,171],"singlet":[117,179],"triplet":[119,185],"perylene":[123],"di-imide":[124],"aggregates":[125],"(PDI).":[126],"focus":[128],"on":[129],"displacement":[132],"along":[133],"longitudinal":[135,174],"translation":[136],"coordinate,":[137],"which":[138],"mimics":[139],"different":[140],"amounts":[141],"slip-stacking":[143],"observed":[144],"PDI":[146],"crystals.":[147],"analysis,":[149],"symmetry-adapted":[153],"Frenkel":[154],"(FE)":[156],"charge-resonance":[158],"(CR)":[159],"their":[162],"interactions,":[163],"discloses":[164],"how":[165],"interchange":[167],"H/J":[170],"small":[173],"shifts,":[175],"previously":[176],"reported":[177],"states,":[181],"also":[182],"occurs":[183],"excitons.":[186]},"counts_by_year":[{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}