Publication Information

{'id': 'https://openalex.org/W1996877171', 'doi': 'https://doi.org/10.1063/1.2176611', 'title': 'The structure of the Si9H12 cluster: A coupled cluster and multi-reference perturbation theory study', 'display_name': 'The structure of the Si9H12 cluster: A coupled cluster and multi-reference perturbation theory study', 'publication_year': 2006, 'publication_date': '2006-02-24', 'ids': {'openalex': 'https://openalex.org/W1996877171', 'doi': 'https://doi.org/10.1063/1.2176611', 'mag': '1996877171', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/16512699'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1063/1.2176611', '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', 'pubmed'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': 'https://dr.lib.iastate.edu/bitstreams/7a78c93f-e042-4f61-95e2-9dc61995e6e6/download', 'any_repository_has_fulltext': True}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5109918257', 'display_name': 'Ryan M. Olson', 'orcid': None}, 'institutions': [{'id': 'https://openalex.org/I173911158', 'display_name': 'Iowa State University', 'ror': 'https://ror.org/04rswrd78', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I173911158']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Ryan M. Olson', 'raw_affiliation_strings': ['Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA,'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA,', 'institution_ids': ['https://openalex.org/I173911158']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5010977651', 'display_name': 'Mark S. Gordon', 'orcid': 'https://orcid.org/0000-0001-6893-553X'}, 'institutions': [{'id': 'https://openalex.org/I173911158', 'display_name': 'Iowa State University', 'ror': 'https://ror.org/04rswrd78', 'country_code': 'US', 'type': 'education', 'lineage': ['https://openalex.org/I173911158']}], 'countries': ['US'], 'is_corresponding': False, 'raw_author_name': 'Mark S. Gordon', 'raw_affiliation_strings': ['Iowa State University Department of Chemistry, , Ames, Iowa 50011'], 'affiliations': [{'raw_affiliation_string': 'Iowa State University Department of Chemistry, , Ames, Iowa 50011', 'institution_ids': ['https://openalex.org/I173911158']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': {'value': 3500, 'currency': 'USD', 'value_usd': 3500, 'provenance': 'doaj'}, 'apc_paid': None, 'fwci': 0.959, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 13, 'citation_normalized_percentile': {'value': 0.682255, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 84, 'max': 85}, 'biblio': {'volume': '124', 'issue': '8', 'first_page': None, 'last_page': None}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10002', 'display_name': 'Advanced Chemical Physics Studies', 'score': 0.9999, '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/T10002', 'display_name': 'Advanced Chemical Physics Studies', 'score': 0.9999, '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/T12039', 'display_name': 'Electron and X-Ray Spectroscopy Techniques', 'score': 0.9992, 'subfield': {'id': 'https://openalex.org/subfields/2508', 'display_name': 'Surfaces, Coatings and Films'}, '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/T11733', 'display_name': 'X-ray Spectroscopy and Fluorescence Analysis', 'score': 0.9991, 'subfield': {'id': 'https://openalex.org/subfields/3108', 'display_name': 'Radiation'}, '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/coupled-cluster', 'display_name': 'Coupled cluster', 'score': 0.85536087}], 'concepts': [{'id': 'https://openalex.org/C19637589', 'wikidata': 'https://www.wikidata.org/wiki/Q1117940', 'display_name': 'Coupled cluster', 'level': 3, 'score': 0.85536087}, {'id': 'https://openalex.org/C174256460', 'wikidata': 'https://www.wikidata.org/wiki/Q911364', 'display_name': 'Perturbation theory (quantum mechanics)', 'level': 2, 'score': 0.7997}, {'id': 'https://openalex.org/C164866538', 'wikidata': 'https://www.wikidata.org/wiki/Q367351', 'display_name': 'Cluster (spacecraft)', 'level': 2, 'score': 0.67686105}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.5355427}, {'id': 'https://openalex.org/C152365726', 'wikidata': 'https://www.wikidata.org/wiki/Q1048589', 'display_name': 'Density functional theory', 'level': 2, 'score': 0.47236997}, {'id': 'https://openalex.org/C184779094', 'wikidata': 'https://www.wikidata.org/wiki/Q26383', 'display_name': 'Atomic physics', 'level': 1, 'score': 0.35801458}, {'id': 'https://openalex.org/C121864883', 'wikidata': 'https://www.wikidata.org/wiki/Q677916', 'display_name': 'Statistical physics', 'level': 1, 'score': 0.3478527}, {'id': 'https://openalex.org/C41999313', 'wikidata': 'https://www.wikidata.org/wiki/Q489328', 'display_name': 'Molecular physics', 'level': 1, 'score': 0.3218533}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.28697294}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.23064211}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.09207532}, {'id': 'https://openalex.org/C199360897', 'wikidata': 'https://www.wikidata.org/wiki/Q9143', 'display_name': 'Programming language', 'level': 1, 'score': 0.0}], 'mesh': [], 'locations_count': 3, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1063/1.2176611', '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}, {'is_oa': True, 'landing_page_url': 'https://lib.dr.iastate.edu/chem_pubs/458', 'pdf_url': 'https://dr.lib.iastate.edu/bitstreams/7a78c93f-e042-4f61-95e2-9dc61995e6e6/download', 'source': {'id': 'https://openalex.org/S4377196104', 'display_name': 'Iowa State University Digital Repository (Iowa State University)', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I173911158', 'host_organization_name': 'Iowa State University', 'host_organization_lineage': ['https://openalex.org/I173911158'], 'host_organization_lineage_names': ['Iowa State University'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/16512699', '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': {'is_oa': True, 'landing_page_url': 'https://lib.dr.iastate.edu/chem_pubs/458', 'pdf_url': 'https://dr.lib.iastate.edu/bitstreams/7a78c93f-e042-4f61-95e2-9dc61995e6e6/download', 'source': {'id': 'https://openalex.org/S4377196104', 'display_name': 'Iowa State University Digital Repository (Iowa State University)', 'issn_l': None, 'issn': None, 'is_oa': False, 'is_in_doaj': False, 'is_core': False, 'host_organization': 'https://openalex.org/I173911158', 'host_organization_name': 'Iowa State University', 'host_organization_lineage': ['https://openalex.org/I173911158'], 'host_organization_lineage_names': ['Iowa State University'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': 'publishedVersion', 'is_accepted': True, 'is_published': True}, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 44, 'referenced_works': ['https://openalex.org/W1964950206', 'https://openalex.org/W1964951505', 'https://openalex.org/W1966507010', 'https://openalex.org/W1971366372', 'https://openalex.org/W1973237615', 'https://openalex.org/W1974664861', 'https://openalex.org/W1979378466', 'https://openalex.org/W1985450754', 'https://openalex.org/W1985549015', 'https://openalex.org/W1986439999', 'https://openalex.org/W1996692775', 'https://openalex.org/W1997393151', 'https://openalex.org/W1999915818', 'https://openalex.org/W2002314527', 'https://openalex.org/W2010723940', 'https://openalex.org/W2011851329', 'https://openalex.org/W2011862045', 'https://openalex.org/W2014603247', 'https://openalex.org/W2014762594', 'https://openalex.org/W2022511777', 'https://openalex.org/W2022950330', 'https://openalex.org/W2026323572', 'https://openalex.org/W2034137747', 'https://openalex.org/W2034662543', 'https://openalex.org/W2036074966', 'https://openalex.org/W2041597938', 'https://openalex.org/W2043362866', 'https://openalex.org/W2043624152', 'https://openalex.org/W2043709617', 'https://openalex.org/W2054982816', 'https://openalex.org/W2055079885', 'https://openalex.org/W2059058649', 'https://openalex.org/W2059603299', 'https://openalex.org/W2062556003', 'https://openalex.org/W2063546049', 'https://openalex.org/W2069946400', 'https://openalex.org/W2072803175', 'https://openalex.org/W2074152683', 'https://openalex.org/W2080300122', 'https://openalex.org/W2080878489', 'https://openalex.org/W2082744911', 'https://openalex.org/W2092177217', 'https://openalex.org/W2768072658', 'https://openalex.org/W3138484872'], 'related_works': ['https://openalex.org/W4301505691', 'https://openalex.org/W4289494062', 'https://openalex.org/W4256336708', 'https://openalex.org/W3001299282', 'https://openalex.org/W2891081641', 'https://openalex.org/W2296087497', 'https://openalex.org/W2143321823', 'https://openalex.org/W2050699074', 'https://openalex.org/W1984513317', 'https://openalex.org/W1976324478'], 'abstract_inverted_index': {'Full': [0], 'geometry': [1], 'optimizations': [2], 'using': [3], 'both': [4], 'singles': [5], 'and': [6, 16, 58], 'doubles': [7], 'coupled': [8], 'cluster': [9, 33, 52], 'theory': [10, 46], 'with': [11], 'perturbative': [12], 'triple': [13], 'excitations,': [14], 'CCSD(T),': [15], 'second': [17], 'order': [18], 'multi-reference': [19], 'perturbation': [20], 'theory,': [21], 'MRMP2,': [22], 'have': [23], 'been': [24], 'employed': [25], 'to': [26, 38, 53], 'predict': [27, 47], 'the': [28, 40, 48], 'structure': [29, 49, 65], 'of': [30, 45, 50, 71], 'Si9H12,': [31], 'a': [32, 62], 'commonly': [34], 'used': [35], 'in': [36], 'calculations': [37], 'represent': [39], 'Si(100)': [41], 'surface.': [42], 'Both': [43], 'levels': [44], 'this': [51], 'be': [54], 'symmetric': [55], '(not': [56], 'buckled),': [57], 'no': [59], 'evidence': [60], 'for': [61], 'buckled': [63], '(asymmetric)': [64], 'is': [66], 'found': [67], 'at': [68], 'either': [69], 'level': [70], 'theory.': [72]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W1996877171', 'counts_by_year': [{'year': 2016, 'cited_by_count': 1}, {'year': 2015, 'cited_by_count': 1}, {'year': 2013, 'cited_by_count': 1}, {'year': 2012, 'cited_by_count': 1}], 'updated_date': '2024-12-13T16:00:35.690732', 'created_date': '2016-06-24'}