Publication Information

{'id': 'https://openalex.org/W2327751214', 'doi': 'https://doi.org/10.1021/ja208431r', 'title': 'Mechanism for Singlet Fission in Pentacene and Tetracene: From Single Exciton to Two Triplets', 'display_name': 'Mechanism for Singlet Fission in Pentacene and Tetracene: From Single Exciton to Two Triplets', 'publication_year': 2011, 'publication_date': '2011-11-15', 'ids': {'openalex': 'https://openalex.org/W2327751214', 'doi': 'https://doi.org/10.1021/ja208431r', 'mag': '2327751214', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/22084927'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ja208431r', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S111155417', 'display_name': 'Journal of the American Chemical Society', 'issn_l': '0002-7863', 'issn': ['0002-7863', '1520-5126', '1943-2984'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320006', 'host_organization_name': 'American Chemical Society', 'host_organization_lineage': ['https://openalex.org/P4310320006'], 'host_organization_lineage_names': ['American Chemical Society'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref', 'pubmed'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5042777510', 'display_name': 'Paul M. Zimmerman', 'orcid': 'https://orcid.org/0000-0002-7444-1314'}, 'institutions': [{'id': 'https://openalex.org/I95457486', 'display_name': 'University of California, Berkeley', 'ror': 'https://ror.org/01an7q238', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I95457486']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Paul M. Zimmerman', 'raw_affiliation_strings': ['Department of Chemistry, University of California, Berkeley, California 94720, United States'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of California, Berkeley, California 94720, United States', 'institution_ids': ['https://openalex.org/I95457486']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5046008096', 'display_name': 'Franziska Bell', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I95457486', 'display_name': 'University of California, Berkeley', 'ror': 'https://ror.org/01an7q238', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I95457486']}, {'id': 'https://openalex.org/I148283060', 'display_name': 'Lawrence Berkeley National Laboratory', 'ror': 'https://ror.org/02jbv0t02', 'country_code': 'US', 'type': 'facility', 'lineage': ['https://openalex.org/I1330989302', 'https://openalex.org/I148283060', 'https://openalex.org/I39565521']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Franziska Bell', 'raw_affiliation_strings': ['Department of Chemistry, University of California, Berkeley, California 94720, United States', 'Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of California, Berkeley, California 94720, United States', 'institution_ids': ['https://openalex.org/I95457486']}, {'raw_affiliation_string': 'Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States', 'institution_ids': ['https://openalex.org/I148283060']}]}, {'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/I71999127', 'display_name': 'Universitat de Barcelona', 'ror': 'https://ror.org/021018s57', 'country_code': 'ES', 'type': 'education', 'lineage': ['https://openalex.org/I71999127']}], 'countries': ['ES'], 'is_corresponding': False, 'raw_author_name': 'David Casanova', 'raw_affiliation_strings': ['Institut de Química Teòrica i Computacional, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain'], 'affiliations': [{'raw_affiliation_string': 'Institut de Química Teòrica i Computacional, Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona, Spain', 'institution_ids': ['https://openalex.org/I71999127']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5015311244', 'display_name': 'Martin Head‐Gordon', 'orcid': 'https://orcid.org/0000-0002-4309-6669'}, 'institutions': [{'id': 'https://openalex.org/I95457486', 'display_name': 'University of California, Berkeley', 'ror': 'https://ror.org/01an7q238', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I95457486']}, {'id': 'https://openalex.org/I148283060', 'display_name': 'Lawrence Berkeley National Laboratory', 'ror': 'https://ror.org/02jbv0t02', 'country_code': 'US', 'type': 'facility', 'lineage': ['https://openalex.org/I1330989302', 'https://openalex.org/I148283060', 'https://openalex.org/I39565521']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Martin Head-Gordon', 'raw_affiliation_strings': ['Department of Chemistry, University of California, Berkeley, California 94720, United States', 'Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, University of California, Berkeley, California 94720, United States', 'institution_ids': ['https://openalex.org/I95457486']}, {'raw_affiliation_string': 'Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States', 'institution_ids': ['https://openalex.org/I148283060']}]}], 'institution_assertions': [], 'countries_distinct_count': 2, 'institutions_distinct_count': 3, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 19.945, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 440, 'citation_normalized_percentile': {'value': 0.999984, 'is_in_top_1_percent': True, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 99, 'max': 100}, 'biblio': {'volume': '133', 'issue': '49', 'first_page': '19944', 'last_page': '19952'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10913', 'display_name': 'Molecular Junctions and Nanostructures', 'score': 0.9995, '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'}}, 'topics': [{'id': 'https://openalex.org/T10913', 'display_name': 'Molecular Junctions and Nanostructures', 'score': 0.9995, '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/T12236', 'display_name': 'Photoreceptor and optogenetics research', 'score': 0.999, '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/T11177', 'display_name': 'Spectroscopy and Quantum Chemical Studies', 'score': 0.9986, '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/tetracene', 'display_name': 'Tetracene', 'score': 0.9734137}, {'id': 'https://openalex.org/keywords/pentacene', 'display_name': 'Pentacene', 'score': 0.96730065}, {'id': 'https://openalex.org/keywords/singlet-fission', 'display_name': 'Singlet fission', 'score': 0.9120832}, {'id': 'https://openalex.org/keywords/acene', 'display_name': 'Acene', 'score': 0.43928617}], 'concepts': [{'id': 'https://openalex.org/C2779071238', 'wikidata': 'https://www.wikidata.org/wiki/Q379089', 'display_name': 'Tetracene', 'level': 3, 'score': 0.9734137}, {'id': 'https://openalex.org/C2776498980', 'wikidata': 'https://www.wikidata.org/wiki/Q424450', 'display_name': 'Pentacene', 'level': 4, 'score': 0.96730065}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.92145646}, {'id': 'https://openalex.org/C161522054', 'wikidata': 'https://www.wikidata.org/wiki/Q17100192', 'display_name': 'Singlet fission', 'level': 4, 'score': 0.9120832}, {'id': 'https://openalex.org/C12294094', 'wikidata': 'https://www.wikidata.org/wiki/Q929080', 'display_name': 'Fission', 'level': 3, 'score': 0.7400232}, {'id': 'https://openalex.org/C17729963', 'wikidata': 'https://www.wikidata.org/wiki/Q858289', 'display_name': 'Exciton', 'level': 2, 'score': 0.62275577}, {'id': 'https://openalex.org/C33062035', 'wikidata': 'https://www.wikidata.org/wiki/Q3296863', 'display_name': 'Singlet state', 'level': 3, 'score': 0.6207965}, {'id': 'https://openalex.org/C89611455', 'wikidata': 'https://www.wikidata.org/wiki/Q6804646', 'display_name': 'Mechanism (biology)', 'level': 2, 'score': 0.50166965}, {'id': 'https://openalex.org/C159467904', 'wikidata': 'https://www.wikidata.org/wiki/Q2001702', 'display_name': 'Chemical physics', 'level': 1, 'score': 0.44958687}, {'id': 'https://openalex.org/C75473681', 'wikidata': 'https://www.wikidata.org/wiki/Q188651', 'display_name': 'Photochemistry', 'level': 1, 'score': 0.44751334}, {'id': 'https://openalex.org/C2778412363', 'wikidata': 'https://www.wikidata.org/wiki/Q418207', 'display_name': 'Acene', 'level': 3, 'score': 0.43928617}, {'id': 'https://openalex.org/C184779094', 'wikidata': 'https://www.wikidata.org/wiki/Q26383', 'display_name': 'Atomic physics', 'level': 1, 'score': 0.21012706}, {'id': 'https://openalex.org/C2779563022', 'wikidata': 'https://www.wikidata.org/wiki/Q422152', 'display_name': 'Anthracene', 'level': 2, 'score': 0.16355526}, {'id': 'https://openalex.org/C26873012', 'wikidata': 'https://www.wikidata.org/wiki/Q214781', 'display_name': 'Condensed matter physics', 'level': 1, 'score': 0.16017723}, {'id': 'https://openalex.org/C185544564', 'wikidata': 'https://www.wikidata.org/wiki/Q81197', 'display_name': 'Nuclear physics', 'level': 1, 'score': 0.1599243}, {'id': 'https://openalex.org/C147789679', 'wikidata': 'https://www.wikidata.org/wiki/Q11372', 'display_name': 'Physical chemistry', 'level': 1, 'score': 0.13998514}, {'id': 'https://openalex.org/C76766466', 'wikidata': 'https://www.wikidata.org/wiki/Q3036629', 'display_name': 'Triplet state', 'level': 3, 'score': 0.12262505}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.0912182}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.08323899}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.07889578}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.07668477}, {'id': 'https://openalex.org/C152568617', 'wikidata': 'https://www.wikidata.org/wiki/Q2348', 'display_name': 'Neutron', 'level': 2, 'score': 0.056426376}, {'id': 'https://openalex.org/C181500209', 'wikidata': 'https://www.wikidata.org/wiki/Q215328', 'display_name': 'Excited state', 'level': 2, 'score': 0.043972373}, {'id': 'https://openalex.org/C17525397', 'wikidata': 'https://www.wikidata.org/wiki/Q176140', 'display_name': 'Electrode', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C87359718', 'wikidata': 'https://www.wikidata.org/wiki/Q1271916', 'display_name': 'Thin-film transistor', 'level': 3, 'score': 0.0}], 'mesh': [], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ja208431r', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S111155417', 'display_name': 'Journal of the American Chemical Society', 'issn_l': '0002-7863', 'issn': ['0002-7863', '1520-5126', '1943-2984'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320006', 'host_organization_name': 'American Chemical Society', 'host_organization_lineage': ['https://openalex.org/P4310320006'], 'host_organization_lineage_names': ['American Chemical Society'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/22084927', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306525036', 'display_name': 'PubMed', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I1299303238', 'host_organization_name': 'National Institutes of Health', 'host_organization_lineage': ['https://openalex.org/I1299303238'], 'host_organization_lineage_names': ['National Institutes of Health'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 43, 'referenced_works': ['https://openalex.org/W1543187317', 'https://openalex.org/W1966902779', 'https://openalex.org/W1973129735', 'https://openalex.org/W1985075289', 'https://openalex.org/W1985227078', 'https://openalex.org/W1989854295', 'https://openalex.org/W1992620634', 'https://openalex.org/W1996649758', 'https://openalex.org/W1997697937', 'https://openalex.org/W1997735178', 'https://openalex.org/W1998741203', 'https://openalex.org/W2002636047', 'https://openalex.org/W2005868641', 'https://openalex.org/W2009444482', 'https://openalex.org/W2020039974', 'https://openalex.org/W2023424614', 'https://openalex.org/W2024603118', 'https://openalex.org/W2027458826', 'https://openalex.org/W2029637177', 'https://openalex.org/W2032796094', 'https://openalex.org/W2050056663', 'https://openalex.org/W2051551371', 'https://openalex.org/W2051559217', 'https://openalex.org/W2051707493', 'https://openalex.org/W2055320585', 'https://openalex.org/W2058398316', 'https://openalex.org/W2062750302', 'https://openalex.org/W2065281647', 'https://openalex.org/W2067378215', 'https://openalex.org/W2067664075', 'https://openalex.org/W2072276761', 'https://openalex.org/W2077524710', 'https://openalex.org/W2080542138', 'https://openalex.org/W2092596232', 'https://openalex.org/W2094622988', 'https://openalex.org/W2096843482', 'https://openalex.org/W2112850441', 'https://openalex.org/W2120901082', 'https://openalex.org/W2133621311', 'https://openalex.org/W2137461109', 'https://openalex.org/W2152186834', 'https://openalex.org/W2166997277', 'https://openalex.org/W4211056516'], 'related_works': ['https://openalex.org/W4252171630', 'https://openalex.org/W4250215428', 'https://openalex.org/W3183309447', 'https://openalex.org/W3047485700', 'https://openalex.org/W3006606125', 'https://openalex.org/W2857934315', 'https://openalex.org/W2778499388', 'https://openalex.org/W2165477921', 'https://openalex.org/W2132624011', 'https://openalex.org/W1537611544'], 'abstract_inverted_index': {'Singlet': [0], 'fission': [1], '(SF)': [2], 'could': [3], 'dramatically': [4], 'increase': [5], 'the': [6, 33, 44, 70, 91, 103, 114, 134, 141], 'efficiency': [7], 'of': [8, 35, 78, 113], 'organic': [9], 'solar': [10], 'cells': [11], 'by': [12, 87], 'producing': [13], 'two': [14], 'triplet': [15], 'excitons': [16], 'from': [17, 140], 'each': [18], 'absorbed': [19], 'photon.': [20], 'While': [21], 'this': [22, 81, 119], 'process': [23, 123], 'has': [24], 'been': [25], 'known': [26], 'for': [27, 105], 'decades,': [28], 'most': [29], 'descriptions': [30], 'have': [31], 'assumed': [32], 'necessity': [34], 'a': [36, 60, 76, 96, 106, 148], 'charge-transfer': [37, 109], 'intermediate.': [38, 110], 'This': [39], 'ab': [40], 'initio': [41], 'study': [42], 'characterizes': [43], 'low-lying': [45, 108], 'excited': [46, 144], 'states': [47], 'in': [48, 52, 59, 125, 130, 147], 'acene': [49], 'molecular': [50], 'crystals': [51], 'order': [53], 'to': [54, 68], 'describe': [55], 'how': [56], 'SF': [57, 101, 152], 'occurs': [58, 124], 'realistic': [61], 'crystal': [62], 'environment.': [63], 'Intermolecular': [64], 'interactions': [65], 'are': [66], 'shown': [67], 'localize': [69], 'initially': [71], 'delocalized': [72], 'bright': [73], 'state': [74, 99, 137], 'onto': [75], 'pair': [77], 'monomers.': [79], 'From': [80], 'localized': [82], 'state,': [83, 145], 'nonadiabatic': [84], 'coupling': [85], 'mediated': [86], 'intermolecular': [88], 'motion': [89], 'between': [90, 151], 'optically': [92], 'allowed': [93], 'exciton': [94], 'and': [95, 153], 'dark': [97, 135], 'multi-exciton': [98, 136], 'facilitates': [100], 'without': [102], 'need': [104], 'nearby': [107], 'An': [111], 'estimate': [112], 'crossing': [115], 'rate': [116], 'shows': [117], 'that': [118], 'direct': [120], 'quantum': [121], 'mechanical': [122], 'well': [126], 'under': [127], '1': [128], 'ps': [129], 'pentacene.': [131], 'In': [132], 'tetracene,': [133], 'is': [138], 'uphill': [139], 'lowest': [142], 'singlet': [143], 'resulting': [146], 'dynamic': [149], 'interplay': [150], 'triplet-triplet': [154], 'annihilation.': [155]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2327751214', 'counts_by_year': [{'year': 2024, 'cited_by_count': 18}, {'year': 2023, 'cited_by_count': 27}, {'year': 2022, 'cited_by_count': 26}, {'year': 2021, 'cited_by_count': 44}, {'year': 2020, 'cited_by_count': 35}, {'year': 2019, 'cited_by_count': 49}, {'year': 2018, 'cited_by_count': 42}, {'year': 2017, 'cited_by_count': 38}, {'year': 2016, 'cited_by_count': 32}, {'year': 2015, 'cited_by_count': 36}, {'year': 2014, 'cited_by_count': 40}, {'year': 2013, 'cited_by_count': 36}, {'year': 2012, 'cited_by_count': 16}], 'updated_date': '2024-12-29T15:46:40.823048', 'created_date': '2016-06-24'}