Publication Information

{'id': 'https://openalex.org/W2086447697', 'doi': 'https://doi.org/10.1063/1.477954', 'title': 'A quantum mechanical study of the role of out-of-plane vibrations in benzene in the intramolecular redistribution of vibrational energy', 'display_name': 'A quantum mechanical study of the role of out-of-plane vibrations in benzene in the intramolecular redistribution of vibrational energy', 'publication_year': 1999, 'publication_date': '1999-02-01', 'ids': {'openalex': 'https://openalex.org/W2086447697', 'doi': 'https://doi.org/10.1063/1.477954', 'mag': '2086447697'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1063/1.477954', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S77047749', 'display_name': 'The Journal of Chemical Physics', 'issn_l': '0021-9606', 'issn': ['0021-9606', '1089-7690', '1520-9032'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320257', 'host_organization_name': 'American Institute of Physics', 'host_organization_lineage': ['https://openalex.org/P4310320257'], 'host_organization_lineage_names': ['American Institute of Physics'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref'], '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/A5040529557', 'display_name': 'S. Rashev', 'orcid': 'https://orcid.org/0000-0003-2515-9520'}, 'institutions': [{'id': 'https://openalex.org/I2801620592', 'display_name': 'Georgi Nadjakov Institute of Solid State Physics', 'ror': 'https://ror.org/05t4n0c27', 'country_code': 'BG', 'type': 'facility', 'lineage': ['https://openalex.org/I24768866', 'https://openalex.org/I2801620592']}, {'id': 'https://openalex.org/I24768866', 'display_name': 'Bulgarian Academy of Sciences', 'ror': 'https://ror.org/01x8hew03', 'country_code': 'BG', 'type': 'government', 'lineage': ['https://openalex.org/I24768866']}], 'countries': ['BG'], 'is_corresponding': True, 'raw_author_name': 'S. Rashev', 'raw_affiliation_strings': ['Institute of Solid State Physics, Bulgarian Academy of Sciences, Tsarigradsko chaussee 72, 1 784\u2009Sofia, Bulgaria'], 'affiliations': [{'raw_affiliation_string': 'Institute of Solid State Physics, Bulgarian Academy of Sciences, Tsarigradsko chaussee 72, 1 784\u2009Sofia, Bulgaria', 'institution_ids': ['https://openalex.org/I2801620592', 'https://openalex.org/I24768866']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 2, 'corresponding_author_ids': ['https://openalex.org/A5040529557'], 'corresponding_institution_ids': ['https://openalex.org/I2801620592', 'https://openalex.org/I24768866'], 'apc_list': {'value': 3500, 'currency': 'USD', 'value_usd': 3500, 'provenance': 'doaj'}, 'apc_paid': None, 'fwci': 0.989, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 7, 'citation_normalized_percentile': {'value': 0.444361, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 75, 'max': 76}, 'biblio': {'volume': '110', 'issue': '5', 'first_page': '2489', 'last_page': '2497'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T11177', 'display_name': 'Spectroscopy and Quantum Chemical Studies', 'score': 0.9995, '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'}}, 'topics': [{'id': 'https://openalex.org/T11177', 'display_name': 'Spectroscopy and Quantum Chemical Studies', 'score': 0.9995, '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'}}, {'id': 'https://openalex.org/T10002', 'display_name': 'Advanced Chemical Physics 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'}}, {'id': 'https://openalex.org/T11111', 'display_name': 'Spectroscopy and Laser Applications', 'score': 0.9983, 'subfield': {'id': 'https://openalex.org/subfields/1607', 'display_name': 'Spectroscopy'}, 'field': {'id': 'https://openalex.org/fields/16', 'display_name': 'Chemistry'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/overtone', 'display_name': 'Overtone', 'score': 0.86647666}, {'id': 'https://openalex.org/keywords/hamiltonian', 'display_name': 'Hamiltonian (control theory)', 'score': 0.6677884}, {'id': 'https://openalex.org/keywords/overtone-band', 'display_name': 'Overtone band', 'score': 0.64293903}, {'id': 'https://openalex.org/keywords/vibrational-energy-relaxation', 'display_name': 'Vibrational energy relaxation', 'score': 0.5897355}, {'id': 'https://openalex.org/keywords/vibrational-partition-function', 'display_name': 'Vibrational partition function', 'score': 0.56715226}, {'id': 'https://openalex.org/keywords/redistribution', 'display_name': 'Redistribution', 'score': 0.52470434}, {'id': 'https://openalex.org/keywords/vibrational-energy', 'display_name': 'Vibrational energy', 'score': 0.5211575}, {'id': 'https://openalex.org/keywords/formalism', 'display_name': 'Formalism (music)', 'score': 0.46936825}], 'concepts': [{'id': 'https://openalex.org/C38615331', 'wikidata': 'https://www.wikidata.org/wiki/Q261967', 'display_name': 'Overtone', 'level': 3, 'score': 0.86647666}, {'id': 'https://openalex.org/C75079739', 'wikidata': 'https://www.wikidata.org/wiki/Q1571801', 'display_name': 'Intramolecular force', 'level': 2, 'score': 0.8019628}, {'id': 'https://openalex.org/C198394728', 'wikidata': 'https://www.wikidata.org/wiki/Q3695508', 'display_name': 'Vibration', 'level': 2, 'score': 0.68148196}, {'id': 'https://openalex.org/C130787639', 'wikidata': 'https://www.wikidata.org/wiki/Q5645293', 'display_name': 'Hamiltonian (control theory)', 'level': 2, 'score': 0.6677884}, {'id': 'https://openalex.org/C124806180', 'wikidata': 'https://www.wikidata.org/wiki/Q7114039', 'display_name': 'Overtone band', 'level': 3, 'score': 0.64293903}, {'id': 'https://openalex.org/C2777691172', 'wikidata': 'https://www.wikidata.org/wiki/Q2270', 'display_name': 'Benzene', 'level': 2, 'score': 0.63914305}, {'id': 'https://openalex.org/C57061188', 'wikidata': 'https://www.wikidata.org/wiki/Q17027640', 'display_name': 'Hot band', 'level': 4, 'score': 0.6223029}, {'id': 'https://openalex.org/C84662259', 'wikidata': 'https://www.wikidata.org/wiki/Q3935813', 'display_name': 'Vibrational energy relaxation', 'level': 3, 'score': 0.5897355}, {'id': 'https://openalex.org/C32758168', 'wikidata': 'https://www.wikidata.org/wiki/Q900488', 'display_name': 'Normal mode', 'level': 3, 'score': 0.5798289}, {'id': 'https://openalex.org/C5829439', 'wikidata': 'https://www.wikidata.org/wiki/Q7924656', 'display_name': 'Vibrational partition function', 'level': 5, 'score': 0.56715226}, {'id': 'https://openalex.org/C24123453', 'wikidata': 'https://www.wikidata.org/wiki/Q900121', 'display_name': 'Molecular vibration', 'level': 3, 'score': 0.56313443}, {'id': 'https://openalex.org/C74080474', 'wikidata': 'https://www.wikidata.org/wiki/Q7305975', 'display_name': 'Redistribution (election)', 'level': 3, 'score': 0.52470434}, {'id': 'https://openalex.org/C2993504562', 'wikidata': 'https://www.wikidata.org/wiki/Q351281', 'display_name': 'Vibrational energy', 'level': 3, 'score': 0.5211575}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.48974895}, {'id': 'https://openalex.org/C73301696', 'wikidata': 'https://www.wikidata.org/wiki/Q5469984', 'display_name': 'Formalism (music)', 'level': 3, 'score': 0.46936825}, {'id': 'https://openalex.org/C184779094', 'wikidata': 'https://www.wikidata.org/wiki/Q26383', 'display_name': 'Atomic physics', 'level': 1, 'score': 0.45518228}, {'id': 'https://openalex.org/C65956243', 'wikidata': 'https://www.wikidata.org/wiki/Q2664086', 'display_name': 'Basis set', 'level': 3, 'score': 0.44060606}, {'id': 'https://openalex.org/C41999313', 'wikidata': 'https://www.wikidata.org/wiki/Q489328', 'display_name': 'Molecular physics', 'level': 1, 'score': 0.43886507}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.32079554}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.29134202}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.2721328}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.18803024}, {'id': 'https://openalex.org/C4839761', 'wikidata': 'https://www.wikidata.org/wiki/Q212111', 'display_name': 'Spectral line', 'level': 2, 'score': 0.12680015}, {'id': 'https://openalex.org/C152365726', 'wikidata': 'https://www.wikidata.org/wiki/Q1048589', 'display_name': 'Density functional theory', 'level': 2, 'score': 0.07438296}, {'id': 'https://openalex.org/C71240020', 'wikidata': 'https://www.wikidata.org/wiki/Q186011', 'display_name': 'Stereochemistry', 'level': 1, 'score': 0.074307024}, {'id': 'https://openalex.org/C181500209', 'wikidata': 'https://www.wikidata.org/wiki/Q215328', 'display_name': 'Excited state', 'level': 2, 'score': 0.07129523}, {'id': 'https://openalex.org/C33923547', 'wikidata': 'https://www.wikidata.org/wiki/Q395', 'display_name': 'Mathematics', 'level': 0, 'score': 0.05763963}, {'id': 'https://openalex.org/C126255220', 'wikidata': 'https://www.wikidata.org/wiki/Q141495', 'display_name': 'Mathematical optimization', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C142362112', 'wikidata': 'https://www.wikidata.org/wiki/Q735', 'display_name': 'Art', 'level': 0, 'score': 0.0}, {'id': 'https://openalex.org/C199539241', 'wikidata': 'https://www.wikidata.org/wiki/Q7748', 'display_name': 'Law', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C153349607', 'wikidata': 'https://www.wikidata.org/wiki/Q36649', 'display_name': 'Visual arts', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C558565934', 'wikidata': 'https://www.wikidata.org/wiki/Q2743', 'display_name': 'Musical', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C17744445', 'wikidata': 'https://www.wikidata.org/wiki/Q36442', 'display_name': 'Political science', 'level': 0, 'score': 0.0}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C94625758', 'wikidata': 'https://www.wikidata.org/wiki/Q7163', 'display_name': 'Politics', 'level': 2, 'score': 0.0}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1063/1.477954', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S77047749', 'display_name': 'The Journal of Chemical Physics', 'issn_l': '0021-9606', 'issn': ['0021-9606', '1089-7690', '1520-9032'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320257', 'host_organization_name': 'American Institute of Physics', 'host_organization_lineage': ['https://openalex.org/P4310320257'], 'host_organization_lineage_names': ['American Institute of Physics'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [{'id': 'https://metadata.un.org/sdg/7', 'score': 0.9, 'display_name': 'Affordable and clean energy'}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 52, 'referenced_works': ['https://openalex.org/W1536112388', 'https://openalex.org/W1625603345', 'https://openalex.org/W1974029311', 'https://openalex.org/W1975939007', 'https://openalex.org/W1976057979', 'https://openalex.org/W1983946656', 'https://openalex.org/W1985164555', 'https://openalex.org/W1986813290', 'https://openalex.org/W1991364502', 'https://openalex.org/W1999649279', 'https://openalex.org/W2000258466', 'https://openalex.org/W2003676955', 'https://openalex.org/W2004401941', 'https://openalex.org/W2005572292', 'https://openalex.org/W2006421388', 'https://openalex.org/W2008779744', 'https://openalex.org/W2011454900', 'https://openalex.org/W2011936676', 'https://openalex.org/W2014728666', 'https://openalex.org/W2016185365', 'https://openalex.org/W2018801628', 'https://openalex.org/W2019141773', 'https://openalex.org/W2019738575', 'https://openalex.org/W2021626883', 'https://openalex.org/W2026685534', 'https://openalex.org/W2032154804', 'https://openalex.org/W2042651455', 'https://openalex.org/W2043559484', 'https://openalex.org/W2046002177', 'https://openalex.org/W2051852183', 'https://openalex.org/W2053530754', 'https://openalex.org/W2055258682', 'https://openalex.org/W2057160240', 'https://openalex.org/W2058714348', 'https://openalex.org/W2060657697', 'https://openalex.org/W2062054091', 'https://openalex.org/W2062105479', 'https://openalex.org/W2062578729', 'https://openalex.org/W2063133760', 'https://openalex.org/W2066328050', 'https://openalex.org/W2072538200', 'https://openalex.org/W2072837271', 'https://openalex.org/W2078481502', 'https://openalex.org/W2079390399', 'https://openalex.org/W2085541857', 'https://openalex.org/W2086976625', 'https://openalex.org/W2088538239', 'https://openalex.org/W2098395779', 'https://openalex.org/W2102390372', 'https://openalex.org/W2152689268', 'https://openalex.org/W2798856947', 'https://openalex.org/W4250601970'], 'related_works': ['https://openalex.org/W4242490002', 'https://openalex.org/W2768663588', 'https://openalex.org/W2086447697', 'https://openalex.org/W2018197556', 'https://openalex.org/W2013945377', 'https://openalex.org/W2004013751', 'https://openalex.org/W1987214267', 'https://openalex.org/W1972565001', 'https://openalex.org/W174355080', 'https://openalex.org/W1577363662'], 'abstract_inverted_index': {'In': [0], 'this': [1], 'work': [2], 'we': [3], 'have': [4, 82], 'carried': [5, 84], 'out': [6], 'a': [7, 37], 'theoretical': [8], 'investigation': [9], 'on': [10, 36, 66], 'the': [11, 48, 67, 74, 91], 'role': [12], 'of': [13, 55, 93], 'out-of-plane': [14, 56, 94], 'vibrational': [15, 18, 23, 32], 'modes': [16, 42, 95], 'in': [17, 27, 47, 61, 96], 'level': [19], 'mixing': [20], 'and': [21, 70, 89], 'intramolecular': [22], 'energy': [24], 'redistribution': [25], '(IVR)': [26], 'benzene.': [28, 97], 'A': [29], 'fully': [30], 'symmetrized': [31], 'basis': [33], 'set,': [34], 'based': [35], 'combined': [38], 'local': [39], 'mode': [40], '(LM)+normal': [41], '(NM)': [43], 'formalism': [44, 52], 'was': [45], 'employed': [46], 'study.': [49], 'The': [50], 'Hamiltonian': [51], 'for': [53], 'description': [54], 'vibrations': [57], 'has': [58], 'been': [59, 83], 'developed': [60], 'due': [62], 'detail.': [63], 'Model': [64], 'calculations': [65], 'absorption': [68], 'spectrum': [69], 'IVR': [71], 'dynamics': [72], 'at': [73, 79], 'second': [75], 'overtone': [76], 'state': [77], 'CH(v=3)': [78], '∼8800': [80], 'cm−1': [81], 'out,': [85], 'supplementing': [86], 'previous': [87], 'studies': [88], 'demonstrating': [90], 'importance': [92]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2086447697', 'counts_by_year': [], 'updated_date': '2024-12-22T22:04:37.406867', 'created_date': '2016-06-24'}