Publication Information

{'id': 'https://openalex.org/W3137288461', 'doi': 'https://doi.org/10.1109/irmmw-thz46771.2020.9370499', 'title': 'Explicit Consideration of Vibrational Anharmonicity in Molecular Crystals with Quantum-Mechanical Simulations', 'display_name': 'Explicit Consideration of Vibrational Anharmonicity in Molecular Crystals with Quantum-Mechanical Simulations', 'publication_year': 2020, 'publication_date': '2020-11-08', 'ids': {'openalex': 'https://openalex.org/W3137288461', 'doi': 'https://doi.org/10.1109/irmmw-thz46771.2020.9370499', 'mag': '3137288461'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1109/irmmw-thz46771.2020.9370499', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4363607742', 'display_name': '2022 47th International Conference on Infrared, Millimeter and Terahertz Waves (IRMMW-THz)', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': None, 'host_organization_name': None, 'host_organization_lineage': [], 'host_organization_lineage_names': [], 'type': 'conference'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'proceedings-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/A5049610252', 'display_name': 'Raymond G. Schireman', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I111236770', 'display_name': 'University of Vermont', 'ror': 'https://ror.org/0155zta11', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I111236770']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'R. G. Schireman', 'raw_affiliation_strings': ['University of Vermont,Department of Chemistry,Burlington,VT,USA'], 'affiliations': [{'raw_affiliation_string': 'University of Vermont,Department of Chemistry,Burlington,VT,USA', 'institution_ids': ['https://openalex.org/I111236770']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5029303514', 'display_name': 'M. T. Ruagiero', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I111236770', 'display_name': 'University of Vermont', 'ror': 'https://ror.org/0155zta11', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I111236770']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'M. T. Ruagiero', 'raw_affiliation_strings': ['Materials Science Program, University of Vermont, Burlington, VT, USA'], 'affiliations': [{'raw_affiliation_string': 'Materials Science Program, University of Vermont, Burlington, VT, USA', 'institution_ids': ['https://openalex.org/I111236770']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 0.0, 'has_fulltext': False, 'cited_by_count': 0, 'citation_normalized_percentile': {'value': 0.0, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 0, 'max': 60}, 'biblio': {'volume': None, 'issue': None, 'first_page': '1', 'last_page': '2'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10247', 'display_name': 'Perovskite Materials and Applications', 'score': 0.9981, '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/T10247', 'display_name': 'Perovskite Materials and Applications', 'score': 0.9981, '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/T12875', 'display_name': 'Thermal Expansion and Ionic Conductivity', 'score': 0.9969, 'subfield': {'id': 'https://openalex.org/subfields/2505', 'display_name': 'Materials Chemistry'}, 'field': {'id': 'https://openalex.org/fields/25', 'display_name': 'Materials Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T11758', 'display_name': 'Organic and Molecular Conductors Research', 'score': 0.9968, 'subfield': {'id': 'https://openalex.org/subfields/2504', 'display_name': 'Electronic, Optical and Magnetic Materials'}, 'field': {'id': 'https://openalex.org/fields/25', 'display_name': 'Materials Science'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/lattice', 'display_name': 'Lattice (music)', 'score': 0.48563257}, {'id': 'https://openalex.org/keywords/lattice-vibration', 'display_name': 'Lattice vibration', 'score': 0.43847898}], 'concepts': [{'id': 'https://openalex.org/C147724859', 'wikidata': 'https://www.wikidata.org/wiki/Q545228', 'display_name': 'Anharmonicity', 'level': 2, 'score': 0.9929762}, {'id': 'https://openalex.org/C84114770', 'wikidata': 'https://www.wikidata.org/wiki/Q46344', 'display_name': 'Quantum', 'level': 2, 'score': 0.71123}, {'id': 'https://openalex.org/C24123453', 'wikidata': 'https://www.wikidata.org/wiki/Q900121', 'display_name': 'Molecular vibration', 'level': 3, 'score': 0.6056278}, {'id': 'https://openalex.org/C198394728', 'wikidata': 'https://www.wikidata.org/wiki/Q3695508', 'display_name': 'Vibration', 'level': 2, 'score': 0.5737365}, {'id': 'https://openalex.org/C204530211', 'wikidata': 'https://www.wikidata.org/wiki/Q752823', 'display_name': 'Thermal', 'level': 2, 'score': 0.5019841}, {'id': 'https://openalex.org/C18762648', 'wikidata': 'https://www.wikidata.org/wiki/Q42213', 'display_name': 'Work (physics)', 'level': 2, 'score': 0.49557626}, {'id': 'https://openalex.org/C2781204021', 'wikidata': 'https://www.wikidata.org/wiki/Q6497091', 'display_name': 'Lattice (music)', 'level': 2, 'score': 0.48563257}, {'id': 'https://openalex.org/C2992750936', 'wikidata': 'https://www.wikidata.org/wiki/Q186608', 'display_name': 'Lattice vibration', 'level': 3, 'score': 0.43847898}, {'id': 'https://openalex.org/C192562407', 'wikidata': 'https://www.wikidata.org/wiki/Q228736', 'display_name': 'Materials science', 'level': 0, 'score': 0.42227036}, {'id': 'https://openalex.org/C41999313', 'wikidata': 'https://www.wikidata.org/wiki/Q489328', 'display_name': 'Molecular physics', 'level': 1, 'score': 0.36686242}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.35425133}, {'id': 'https://openalex.org/C24169881', 'wikidata': 'https://www.wikidata.org/wiki/Q186608', 'display_name': 'Phonon', 'level': 2, 'score': 0.29931217}, {'id': 'https://openalex.org/C26873012', 'wikidata': 'https://www.wikidata.org/wiki/Q214781', 'display_name': 'Condensed matter physics', 'level': 1, 'score': 0.2845465}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.26089063}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.2205137}, {'id': 'https://openalex.org/C97355855', 'wikidata': 'https://www.wikidata.org/wiki/Q11473', 'display_name': 'Thermodynamics', 'level': 1, 'score': 0.15038404}, {'id': 'https://openalex.org/C24890656', 'wikidata': 'https://www.wikidata.org/wiki/Q82811', 'display_name': 'Acoustics', 'level': 1, 'score': 0.060851783}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1109/irmmw-thz46771.2020.9370499', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4363607742', 'display_name': '2022 47th International Conference on Infrared, Millimeter and Terahertz Waves (IRMMW-THz)', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': None, 'host_organization_name': None, 'host_organization_lineage': [], 'host_organization_lineage_names': [], 'type': 'conference'}, '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': 4, 'referenced_works': ['https://openalex.org/W2030860057', 'https://openalex.org/W2117531423', 'https://openalex.org/W2942591720', 'https://openalex.org/W2943773673'], 'related_works': ['https://openalex.org/W2986995899', 'https://openalex.org/W2238649582', 'https://openalex.org/W2092814452', 'https://openalex.org/W2048117790', 'https://openalex.org/W2047088393', 'https://openalex.org/W2016401347', 'https://openalex.org/W2013812862', 'https://openalex.org/W2007474662', 'https://openalex.org/W1972723439', 'https://openalex.org/W1968535675'], 'abstract_inverted_index': {'The': [0], 'vibrations': [1], 'of': [2, 13], 'atoms': [3], 'within': [4], 'a': [5], 'crystalline': [6], 'lattice': [7], 'can': [8, 38, 45], 'give': [9], 'insight': [10], 'into': [11, 49], 'properties': [12], 'materials.': [14], 'In': [15, 51], 'particular,': [16], 'vibrational': [17, 36], 'anharmonicity': [18, 37, 48, 69], 'is': [19], 'responsible': [20], 'for': [21], 'many': [22], 'critical': [23], 'phenomena,': [24], 'such': [25], 'as': [26], 'thermal': [27], 'effects,': [28], 'specifically': [29], 'in': [30, 70], 'the': [31, 58, 67], 'low': [32], 'frequency': [33], 'range.': [34], 'While': [35], 'be': [39], 'measured': [40], 'spectroscopically,': [41], 'quantum-mechanical': [42], 'simulations': [43], 'traditionally': [44], 'not': [46], 'take': [47], 'account.': [50], 'this': [52], 'work,': [53], 'two': [54], 'recently': [55], 'developed': [56], 'methods,': [57], 'VCI': [59], 'and': [60], 'VSCF': [61], 'models,': [62], 'are': [63], 'used': [64], 'to': [65], 'calculate': [66], 'explicit': [68], 'molecular': [71], 'crystals.': [72]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W3137288461', 'counts_by_year': [], 'updated_date': '2024-12-25T22:19:15.916422', 'created_date': '2021-03-29'}