Publication Information

{'id': 'https://openalex.org/W2319777592', 'doi': 'https://doi.org/10.1021/jp507146r', 'title': 'Theoretical Study on the Solvation of C60 Fullerene by Ionic Liquids', 'display_name': 'Theoretical Study on the Solvation of C60 Fullerene by Ionic Liquids', 'publication_year': 2014, 'publication_date': '2014-09-03', 'ids': {'openalex': 'https://openalex.org/W2319777592', 'doi': 'https://doi.org/10.1021/jp507146r', 'mag': '2319777592', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/25185023'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/jp507146r', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S185621672', 'display_name': 'The Journal of Physical Chemistry B', 'issn_l': '1520-5207', 'issn': ['1520-5207', '1520-6106'], '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/A5018156599', 'display_name': 'Gregorio García', 'orcid': 'https://orcid.org/0000-0003-3200-3153'}, 'institutions': [{'id': 'https://openalex.org/I46176106', 'display_name': 'Universidad de Burgos', 'ror': 'https://ror.org/049da5t36', 'country_code': 'ES', 'type': 'education', 'lineage': ['https://openalex.org/I46176106']}], 'countries': ['ES'], 'is_corresponding': False, 'raw_author_name': 'Gregorio García', 'raw_affiliation_strings': ['Department\rof Chemistry, University of Burgos, 09001 Burgos, Spain'], 'affiliations': [{'raw_affiliation_string': 'Department\rof Chemistry, University of Burgos, 09001 Burgos, Spain', 'institution_ids': ['https://openalex.org/I46176106']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5023481617', 'display_name': 'Mert Atilhan', 'orcid': 'https://orcid.org/0000-0001-8270-7904'}, 'institutions': [{'id': 'https://openalex.org/I60342839', 'display_name': 'Qatar University', 'ror': 'https://ror.org/00yhnba62', 'country_code': 'QA', 'type': 'education', 'lineage': ['https://openalex.org/I60342839']}], 'countries': ['QA'], 'is_corresponding': False, 'raw_author_name': 'Mert Atilhan', 'raw_affiliation_strings': ['Department\rof Chemical Engineering, Qatar University, P.O. Box 2713, Doha, Qatar'], 'affiliations': [{'raw_affiliation_string': 'Department\rof Chemical Engineering, Qatar University, P.O. Box 2713, Doha, Qatar', 'institution_ids': ['https://openalex.org/I60342839']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5024738927', 'display_name': 'Santiago Aparício', 'orcid': 'https://orcid.org/0000-0001-9996-2426'}, 'institutions': [{'id': 'https://openalex.org/I46176106', 'display_name': 'Universidad de Burgos', 'ror': 'https://ror.org/049da5t36', 'country_code': 'ES', 'type': 'education', 'lineage': ['https://openalex.org/I46176106']}], 'countries': ['ES'], 'is_corresponding': False, 'raw_author_name': 'Santiago Aparicio', 'raw_affiliation_strings': ['Department\rof Chemistry, University of Burgos, 09001 Burgos, Spain'], 'affiliations': [{'raw_affiliation_string': 'Department\rof Chemistry, University of Burgos, 09001 Burgos, Spain', 'institution_ids': ['https://openalex.org/I46176106']}]}], 'institution_assertions': [], 'countries_distinct_count': 2, 'institutions_distinct_count': 2, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 1.705, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 25, 'citation_normalized_percentile': {'value': 0.893284, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 92, 'max': 93}, 'biblio': {'volume': '118', 'issue': '38', 'first_page': '11330', 'last_page': '11340'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10956', 'display_name': 'Fullerene Chemistry and Applications', 'score': 0.9998, 'subfield': {'id': 'https://openalex.org/subfields/1605', 'display_name': 'Organic Chemistry'}, 'field': {'id': 'https://openalex.org/fields/16', 'display_name': 'Chemistry'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, 'topics': [{'id': 'https://openalex.org/T10956', 'display_name': 'Fullerene Chemistry and Applications', 'score': 0.9998, 'subfield': {'id': 'https://openalex.org/subfields/1605', 'display_name': 'Organic Chemistry'}, 'field': {'id': 'https://openalex.org/fields/16', 'display_name': 'Chemistry'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T10480', 'display_name': 'Ionic liquids properties and applications', 'score': 0.9955, 'subfield': {'id': 'https://openalex.org/subfields/1503', 'display_name': 'Catalysis'}, 'field': {'id': 'https://openalex.org/fields/15', 'display_name': 'Chemical Engineering'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}, {'id': 'https://openalex.org/T10074', 'display_name': 'Carbon Nanotubes in Composites', 'score': 0.9928, '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/parametrization', 'display_name': 'Parametrization (atmospheric modeling)', 'score': 0.5185864}, {'id': 'https://openalex.org/keywords/interaction-energy', 'display_name': 'Interaction energy', 'score': 0.42313677}, {'id': 'https://openalex.org/keywords/force-field', 'display_name': 'Force Field', 'score': 0.42038256}], 'concepts': [{'id': 'https://openalex.org/C162862793', 'wikidata': 'https://www.wikidata.org/wiki/Q178026', 'display_name': 'Fullerene', 'level': 2, 'score': 0.8495114}, {'id': 'https://openalex.org/C148093993', 'wikidata': 'https://www.wikidata.org/wiki/Q739398', 'display_name': 'Solvation', 'level': 3, 'score': 0.8308378}, {'id': 'https://openalex.org/C59593255', 'wikidata': 'https://www.wikidata.org/wiki/Q901663', 'display_name': 'Molecular dynamics', 'level': 2, 'score': 0.7914448}, {'id': 'https://openalex.org/C154881586', 'wikidata': 'https://www.wikidata.org/wiki/Q898579', 'display_name': 'Ionic liquid', 'level': 3, 'score': 0.7213212}, {'id': 'https://openalex.org/C159467904', 'wikidata': 'https://www.wikidata.org/wiki/Q2001702', 'display_name': 'Chemical physics', 'level': 1, 'score': 0.7178293}, {'id': 'https://openalex.org/C145148216', 'wikidata': 'https://www.wikidata.org/wiki/Q36496', 'display_name': 'Ion', 'level': 2, 'score': 0.66850483}, {'id': 'https://openalex.org/C152365726', 'wikidata': 'https://www.wikidata.org/wiki/Q1048589', 'display_name': 'Density functional theory', 'level': 2, 'score': 0.6429058}, {'id': 'https://openalex.org/C166950319', 'wikidata': 'https://www.wikidata.org/wiki/Q245031', 'display_name': 'Intermolecular force', 'level': 3, 'score': 0.59833074}, {'id': 'https://openalex.org/C2182769', 'wikidata': 'https://www.wikidata.org/wiki/Q62500', 'display_name': 'Ionic bonding', 'level': 3, 'score': 0.5335593}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.5268551}, {'id': 'https://openalex.org/C202887219', 'wikidata': 'https://www.wikidata.org/wiki/Q3895221', 'display_name': 'Parametrization (atmospheric modeling)', 'level': 3, 'score': 0.5185864}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.45421565}, {'id': 'https://openalex.org/C22499117', 'wikidata': 'https://www.wikidata.org/wiki/Q2253702', 'display_name': 'Interaction energy', 'level': 3, 'score': 0.42313677}, {'id': 'https://openalex.org/C10803110', 'wikidata': 'https://www.wikidata.org/wiki/Q1341441', 'display_name': 'Force field (fiction)', 'level': 2, 'score': 0.42038256}, {'id': 'https://openalex.org/C175634916', 'wikidata': 'https://www.wikidata.org/wiki/Q17075777', 'display_name': 'Potential of mean force', 'level': 3, 'score': 0.41607147}, {'id': 'https://openalex.org/C192562407', 'wikidata': 'https://www.wikidata.org/wiki/Q228736', 'display_name': 'Materials science', 'level': 0, 'score': 0.3868209}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.30966556}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.1300404}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.06257123}, {'id': 'https://openalex.org/C62520636', 'wikidata': 'https://www.wikidata.org/wiki/Q944', 'display_name': 'Quantum mechanics', 'level': 1, 'score': 0.0}, {'id': 'https://openalex.org/C74902906', 'wikidata': 'https://www.wikidata.org/wiki/Q1190858', 'display_name': 'Radiative transfer', 'level': 2, 'score': 0.0}, {'id': 'https://openalex.org/C161790260', 'wikidata': 'https://www.wikidata.org/wiki/Q82264', 'display_name': 'Catalysis', 'level': 2, 'score': 0.0}], 'mesh': [{'descriptor_ui': 'D037741', 'descriptor_name': 'Fullerenes', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': True}, {'descriptor_ui': 'D052578', 'descriptor_name': 'Ionic Liquids', 'qualifier_ui': 'Q000737', 'qualifier_name': 'chemistry', 'is_major_topic': True}, {'descriptor_ui': 'D037741', 'descriptor_name': 'Fullerenes', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D052578', 'descriptor_name': 'Ionic Liquids', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D008962', 'descriptor_name': 'Models, Theoretical', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D056004', 'descriptor_name': 'Molecular Dynamics Simulation', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D012995', 'descriptor_name': 'Solubility', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/jp507146r', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S185621672', 'display_name': 'The Journal of Physical Chemistry B', 'issn_l': '1520-5207', 'issn': ['1520-5207', '1520-6106'], '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/25185023', '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': [{'display_name': 'Affordable and clean energy', 'id': 'https://metadata.un.org/sdg/7', 'score': 0.81}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 56, 'referenced_works': ['https://openalex.org/W135878141', 'https://openalex.org/W1650728208', 'https://openalex.org/W1941967364', 'https://openalex.org/W1972296430', 'https://openalex.org/W1973769167', 'https://openalex.org/W1983301602', 'https://openalex.org/W1984279996', 'https://openalex.org/W1985049473', 'https://openalex.org/W1985523103', 'https://openalex.org/W1991899041', 'https://openalex.org/W1996086823', 'https://openalex.org/W1998974581', 'https://openalex.org/W2003949305', 'https://openalex.org/W2004612046', 'https://openalex.org/W2005307077', 'https://openalex.org/W2006843022', 'https://openalex.org/W2011421207', 'https://openalex.org/W2014252879', 'https://openalex.org/W2017835622', 'https://openalex.org/W2019964902', 'https://openalex.org/W2030487191', 'https://openalex.org/W2035687084', 'https://openalex.org/W2038767330', 'https://openalex.org/W2048011083', 'https://openalex.org/W2062396111', 'https://openalex.org/W2064348191', 'https://openalex.org/W2065248882', 'https://openalex.org/W2065493947', 'https://openalex.org/W2066490281', 'https://openalex.org/W2071955309', 'https://openalex.org/W2075762529', 'https://openalex.org/W2084482988', 'https://openalex.org/W2085730658', 'https://openalex.org/W2086401671', 'https://openalex.org/W2086728523', 'https://openalex.org/W2088427897', 'https://openalex.org/W2090167324', 'https://openalex.org/W2090896061', 'https://openalex.org/W2093486004', 'https://openalex.org/W2102537419', 'https://openalex.org/W2113910773', 'https://openalex.org/W2128745431', 'https://openalex.org/W2129233090', 'https://openalex.org/W2151218927', 'https://openalex.org/W2151334055', 'https://openalex.org/W2151789688', 'https://openalex.org/W2154375622', 'https://openalex.org/W2168258097', 'https://openalex.org/W2312540982', 'https://openalex.org/W2317600103', 'https://openalex.org/W2318629235', 'https://openalex.org/W2323702159', 'https://openalex.org/W2324303555', 'https://openalex.org/W2335339179', 'https://openalex.org/W2592949232', 'https://openalex.org/W3137163369'], 'related_works': ['https://openalex.org/W4221033735', 'https://openalex.org/W2332121877', 'https://openalex.org/W2319777592', 'https://openalex.org/W2318846152', 'https://openalex.org/W2125090241', 'https://openalex.org/W2001506343', 'https://openalex.org/W1989402518', 'https://openalex.org/W1966600919', 'https://openalex.org/W1548038933', 'https://openalex.org/W1162436746'], 'abstract_inverted_index': {'The': [0, 85], 'solvation': [1], 'of': [2, 73, 80, 93, 107], 'C60': [3, 108], 'fullerene': [4, 41], 'by': [5, 44, 100], '24': [6], 'different': [7], 'ionic': [8, 83], 'liquids': [9], 'belonging': [10], 'to': [11, 56, 69, 97], 'the': [12, 38, 71, 74, 78, 91, 104], 'imidazolium,': [13], 'piperazinium,': [14], 'and': [15, 29, 40, 64, 113], 'cholinium': [16], 'families': [17], 'was': [18, 54], 'analyzed': [19, 68], 'from': [20], 'a': [21], 'nanoscopic': [22], 'viewpoint': [23], 'using': [24], 'classic': [25], 'molecular': [26, 51], 'dynamics': [27, 52], 'simulations': [28, 53], 'Density': [30], 'Functional': [31], 'Theory': [32], '(DFT)': [33], 'methods.': [34], 'Charge': [35], 'transfer': [36], 'between': [37], 'ions': [39, 76], 'were': [42, 67], 'computed': [43], 'DFT.': [45], 'Force': [46], 'field': [47], 'parametrization': [48], 'used': [49], 'in': [50, 82], 'corrected': [55], 'reproduce': [57], 'DFT': [58], 'ion–C60': [59, 87], 'interaction': [60, 88, 101], 'mechanism.': [61], 'Structural,': [62], 'dynamic,': [63], 'energetic': [65], 'factors': [66], 'infer': [70], 'role': [72], 'studied': [75], 'on': [77], 'behavior': [79, 92], 'fullerenes': [81], 'liquids.': [84], 'intermolecular': [86], 'energy': [89], 'controls': [90], 'these': [94], 'fluids,': [95], 'leading': [96], 'prevailing': [98], 'roles': [99], 'mechanism': [102], 'through': [103], 'π': [105], 'system': [106], 'nanoparticle,': [109], 'both': [110], 'for': [111], 'anions': [112], 'cations.': [114]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2319777592', 'counts_by_year': [{'year': 2024, 'cited_by_count': 1}, {'year': 2023, 'cited_by_count': 1}, {'year': 2022, 'cited_by_count': 2}, {'year': 2021, 'cited_by_count': 2}, {'year': 2020, 'cited_by_count': 4}, {'year': 2019, 'cited_by_count': 2}, {'year': 2018, 'cited_by_count': 1}, {'year': 2017, 'cited_by_count': 4}, {'year': 2016, 'cited_by_count': 1}, {'year': 2015, 'cited_by_count': 7}], 'updated_date': '2024-12-16T13:43:44.606419', 'created_date': '2016-06-24'}