Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2032107013', 'doi': 'https://doi.org/10.1016/0039-6028(95)00486-6', 'title': 'Hartree-Fock ab initio study of the geometric and electronic structure of RuS2 and its (100) and (111) surfaces', 'display_name': 'Hartree-Fock ab initio study of the geometric and electronic structure of RuS2 and its (100) and (111) surfaces', 'publication_year': 1995, 'publication_date': '1995-08-01', 'ids': {'openalex': 'https://openalex.org/W2032107013', 'doi': 'https://doi.org/10.1016/0039-6028(95)00486-6', 'mag': '2032107013'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1016/0039-6028(95)00486-6', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S137865625', 'display_name': 'Surface Science', 'issn_l': '0039-6028', 'issn': ['0039-6028', '1879-2758'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320990', 'host_organization_name': 'Elsevier BV', 'host_organization_lineage': ['https://openalex.org/P4310320990'], 'host_organization_lineage_names': ['Elsevier BV'], '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/A5080047802', 'display_name': 'F. Fréchard', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I4210150028', 'display_name': "Institut de Recherches sur la Catalyse et l'Environnement de Lyon", 'ror': 'https://ror.org/04fy20a51', 'country_code': 'FR', 'type': 'facility', 'lineage': ['https://openalex.org/I100532134', 'https://openalex.org/I1294671590', 'https://openalex.org/I203339264', 'https://openalex.org/I4210128300', 'https://openalex.org/I4210150028']}, {'id': 'https://openalex.org/I1294671590', 'display_name': 'Centre National de la Recherche Scientifique', 'ror': 'https://ror.org/02feahw73', 'country_code': 'FR', 'type': 'government', 'lineage': ['https://openalex.org/I1294671590']}, {'id': 'https://openalex.org/I113428412', 'display_name': 'École Normale Supérieure de Lyon', 'ror': 'https://ror.org/04zmssz18', 'country_code': 'FR', 'type': 'education', 'lineage': ['https://openalex.org/I113428412', 'https://openalex.org/I203339264']}], 'countries': ['FR'], 'is_corresponding': False, 'raw_author_name': 'F. Fréchard', 'raw_affiliation_strings': ["Ecole Normale Supérieure de Lyon, 43 Allée d'Italie, 69464 Lyon Cedex 07, France", 'Institut de Recherche sur la Catalyse, CNRS, 2 Av. A. Einstein, 69626 Villeurbanne Cedex, France'], 'affiliations': [{'raw_affiliation_string': 'Institut de Recherche sur la Catalyse, CNRS, 2 Av. A. Einstein, 69626 Villeurbanne Cedex, France', 'institution_ids': ['https://openalex.org/I4210150028', 'https://openalex.org/I1294671590']}, {'raw_affiliation_string': "Ecole Normale Supérieure de Lyon, 43 Allée d'Italie, 69464 Lyon Cedex 07, France", 'institution_ids': ['https://openalex.org/I113428412']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5025258970', 'display_name': 'Philippe Sautet', 'orcid': 'https://orcid.org/0000-0002-8444-3348'}, 'institutions': [{'id': 'https://openalex.org/I4210150028', 'display_name': "Institut de Recherches sur la Catalyse et l'Environnement de Lyon", 'ror': 'https://ror.org/04fy20a51', 'country_code': 'FR', 'type': 'facility', 'lineage': ['https://openalex.org/I100532134', 'https://openalex.org/I1294671590', 'https://openalex.org/I203339264', 'https://openalex.org/I4210128300', 'https://openalex.org/I4210150028']}, {'id': 'https://openalex.org/I1294671590', 'display_name': 'Centre National de la Recherche Scientifique', 'ror': 'https://ror.org/02feahw73', 'country_code': 'FR', 'type': 'government', 'lineage': ['https://openalex.org/I1294671590']}, {'id': 'https://openalex.org/I113428412', 'display_name': 'École Normale Supérieure de Lyon', 'ror': 'https://ror.org/04zmssz18', 'country_code': 'FR', 'type': 'education', 'lineage': ['https://openalex.org/I113428412', 'https://openalex.org/I203339264']}], 'countries': ['FR'], 'is_corresponding': False, 'raw_author_name': 'P. Sautet', 'raw_affiliation_strings': ["Ecole Normale Supérieure de Lyon, 43 Allée d'Italie, 69464 Lyon Cedex 07, France", 'Institut de Recherche sur la Catalyse, CNRS, 2 Av. A. Einstein, 69626 Villeurbanne Cedex, France'], 'affiliations': [{'raw_affiliation_string': 'Institut de Recherche sur la Catalyse, CNRS, 2 Av. A. Einstein, 69626 Villeurbanne Cedex, France', 'institution_ids': ['https://openalex.org/I4210150028', 'https://openalex.org/I1294671590']}, {'raw_affiliation_string': "Ecole Normale Supérieure de Lyon, 43 Allée d'Italie, 69464 Lyon Cedex 07, France", 'institution_ids': ['https://openalex.org/I113428412']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 3, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': {'value': 3120, 'currency': 'USD', 'value_usd': 3120, 'provenance': 'doaj'}, 'apc_paid': None, 'fwci': 1.706, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 24, 'citation_normalized_percentile': {'value': 0.842213, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 86, 'max': 87}, 'biblio': {'volume': '336', 'issue': '1-2', 'first_page': '149', 'last_page': '165'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10913', 'display_name': 'Molecular Junctions and Nanostructures', 'score': 0.9998, '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': 0.9998, '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/T11766', 'display_name': 'Iron-based superconductors research', 'score': 0.9993, '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'}}, {'id': 'https://openalex.org/T10321', 'display_name': 'Quantum Dots Synthesis And Properties', 'score': 0.9992, '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'}}], 'keywords': [{'id': 'https://openalex.org/keywords/molecular-geometry', 'display_name': 'Molecular geometry', 'score': 0.47696435}], 'concepts': [{'id': 'https://openalex.org/C2776029896', 'wikidata': 'https://www.wikidata.org/wiki/Q3935810', 'display_name': 'Relaxation (psychology)', 'level': 2, 'score': 0.63681376}, {'id': 'https://openalex.org/C113630233', 'wikidata': 'https://www.wikidata.org/wiki/Q7879841', 'display_name': 'Hartree–Fock method', 'level': 2, 'score': 0.62931}, {'id': 'https://openalex.org/C2781442258', 'wikidata': 'https://www.wikidata.org/wiki/Q46310', 'display_name': 'Ab initio', 'level': 2, 'score': 0.6159022}, {'id': 'https://openalex.org/C2776799497', 'wikidata': 'https://www.wikidata.org/wiki/Q484298', 'display_name': 'Surface (topology)', 'level': 2, 'score': 0.5789655}, {'id': 'https://openalex.org/C86025842', 'wikidata': 'https://www.wikidata.org/wiki/Q5358432', 'display_name': 'Electronic structure', 'level': 2, 'score': 0.55406547}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.5072048}, {'id': 'https://openalex.org/C193547582', 'wikidata': 'https://www.wikidata.org/wiki/Q911331', 'display_name': 'Molecular geometry', 'level': 3, 'score': 0.47696435}, {'id': 'https://openalex.org/C41999313', 'wikidata': 'https://www.wikidata.org/wiki/Q489328', 'display_name': 'Molecular physics', 'level': 1, 'score': 0.44632077}, {'id': 'https://openalex.org/C183971685', 'wikidata': 'https://www.wikidata.org/wiki/Q547605', 'display_name': 'Ab initio quantum chemistry methods', 'level': 3, 'score': 0.44128126}, {'id': 'https://openalex.org/C139358910', 'wikidata': 'https://www.wikidata.org/wiki/Q725417', 'display_name': 'Molecular orbital', 'level': 3, 'score': 0.4189063}, {'id': 'https://openalex.org/C2524010', 'wikidata': 'https://www.wikidata.org/wiki/Q8087', 'display_name': 'Geometry', 'level': 1, 'score': 0.40731454}, {'id': 'https://openalex.org/C184779094', 'wikidata': 'https://www.wikidata.org/wiki/Q26383', 'display_name': 'Atomic physics', 'level': 1, 'score': 0.38312414}, {'id': 'https://openalex.org/C26873012', 'wikidata': 'https://www.wikidata.org/wiki/Q214781', 'display_name': 'Condensed matter physics', 'level': 1, 'score': 0.37188017}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.36928242}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.2596857}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.21990484}, {'id': 'https://openalex.org/C33923547', 'wikidata': 'https://www.wikidata.org/wiki/Q395', 'display_name': 'Mathematics', 'level': 0, 'score': 0.06481996}, {'id': 'https://openalex.org/C15744967', 'wikidata': 'https://www.wikidata.org/wiki/Q9418', 'display_name': 'Psychology', 'level': 0, 'score': 0.0}, {'id': 'https://openalex.org/C77805123', 'wikidata': 'https://www.wikidata.org/wiki/Q161272', 'display_name': 'Social psychology', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.0}], 'mesh': [], 'locations_count': 3, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1016/0039-6028(95)00486-6', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S137865625', 'display_name': 'Surface Science', 'issn_l': '0039-6028', 'issn': ['0039-6028', '1879-2758'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320990', 'host_organization_name': 'Elsevier BV', 'host_organization_lineage': ['https://openalex.org/P4310320990'], 'host_organization_lineage_names': ['Elsevier BV'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://hal.science/hal-00006357', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306402512', 'display_name': 'HAL (Le Centre pour la Communication Scientifique Directe)', 'issn_l': None, 'issn': None, 'is_oa': True, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I1294671590', 'host_organization_name': 'Centre National de la Recherche Scientifique', 'host_organization_lineage': ['https://openalex.org/I1294671590'], 'host_organization_lineage_names': ['Centre National de la Recherche Scientifique'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://hal.archives-ouvertes.fr/hal-00006357', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306402512', 'display_name': 'HAL (Le Centre pour la Communication Scientifique Directe)', 'issn_l': None, 'issn': None, 'is_oa': True, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I1294671590', 'host_organization_name': 'Centre National de la Recherche Scientifique', 'host_organization_lineage': ['https://openalex.org/I1294671590'], 'host_organization_lineage_names': ['Centre National de la Recherche Scientifique'], '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': 21, 'referenced_works': ['https://openalex.org/W1629865136', 'https://openalex.org/W1977597395', 'https://openalex.org/W1989089494', 'https://openalex.org/W2005033637', 'https://openalex.org/W2009919335', 'https://openalex.org/W2024129396', 'https://openalex.org/W2024301748', 'https://openalex.org/W2025439571', 'https://openalex.org/W2051064642', 'https://openalex.org/W2057574210', 'https://openalex.org/W2059723520', 'https://openalex.org/W2062606183', 'https://openalex.org/W2073178744', 'https://openalex.org/W2075963579', 'https://openalex.org/W2085208616', 'https://openalex.org/W2108874832', 'https://openalex.org/W2604790521', 'https://openalex.org/W2988498132', 'https://openalex.org/W3028014531', 'https://openalex.org/W4249204400', 'https://openalex.org/W560933868'], 'related_works': ['https://openalex.org/W4246039796', 'https://openalex.org/W298988759', 'https://openalex.org/W2318543732', 'https://openalex.org/W2090452418', 'https://openalex.org/W2088167357', 'https://openalex.org/W2075585714', 'https://openalex.org/W2062139749', 'https://openalex.org/W2019892253', 'https://openalex.org/W2007510712', 'https://openalex.org/W1973176245'], 'abstract_inverted_index': None, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2032107013', 'counts_by_year': [{'year': 2022, 'cited_by_count': 1}, {'year': 2019, 'cited_by_count': 1}, {'year': 2012, 'cited_by_count': 3}], 'updated_date': '2024-12-16T00:41:21.265032', 'created_date': '2016-06-24'}