Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2004981350', 'doi': 'https://doi.org/10.1080/08927022.2014.998212', 'title': 'Exploring the structure and dynamics of nano-confined water molecules using molecular dynamics simulations', 'display_name': 'Exploring the structure and dynamics of nano-confined water molecules using molecular dynamics simulations', 'publication_year': 2015, 'publication_date': '2015-01-22', 'ids': {'openalex': 'https://openalex.org/W2004981350', 'doi': 'https://doi.org/10.1080/08927022.2014.998212', 'mag': '2004981350'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1080/08927022.2014.998212', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S45504773', 'display_name': 'Molecular Simulation', 'issn_l': '0892-7022', 'issn': ['0892-7022', '1026-7638', '1029-0435'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320547', 'host_organization_name': 'Taylor & Francis', 'host_organization_lineage': ['https://openalex.org/P4310320547'], 'host_organization_lineage_names': ['Taylor & Francis'], '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/A5028702344', 'display_name': 'Abhijit Kayal', 'orcid': 'https://orcid.org/0000-0001-9851-8243'}, 'institutions': [{'id': 'https://openalex.org/I94234084', 'display_name': 'Indian Institute of Technology Kanpur', 'ror': 'https://ror.org/05pjsgx75', 'country_code': 'IN', 'type': 'education', 'lineage': ['https://openalex.org/I94234084']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'Abhijit Kayal', 'raw_affiliation_strings': ['Department of Chemistry, Indian Institute of Technology Kanpur - 208016, India'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, Indian Institute of Technology Kanpur - 208016, India', 'institution_ids': ['https://openalex.org/I94234084']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5055636861', 'display_name': 'Amalendu Chandra', 'orcid': 'https://orcid.org/0000-0003-1223-8326'}, 'institutions': [{'id': 'https://openalex.org/I94234084', 'display_name': 'Indian Institute of Technology Kanpur', 'ror': 'https://ror.org/05pjsgx75', 'country_code': 'IN', 'type': 'education', 'lineage': ['https://openalex.org/I94234084']}], 'countries': ['IN'], 'is_corresponding': False, 'raw_author_name': 'Amalendu Chandra', 'raw_affiliation_strings': ['Department of Chemistry, Indian Institute of Technology Kanpur - 208016, India'], 'affiliations': [{'raw_affiliation_string': 'Department of Chemistry, Indian Institute of Technology Kanpur - 208016, India', 'institution_ids': ['https://openalex.org/I94234084']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 0.862, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 18, 'citation_normalized_percentile': {'value': 0.879981, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 90, 'max': 91}, 'biblio': {'volume': '41', 'issue': '5-6', 'first_page': '463', 'last_page': '470'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10956', 'display_name': 'Fullerene Chemistry and Applications', 'score': 0.999, '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': 0.999, '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/T10074', 'display_name': 'Carbon Nanotubes in Composites', 'score': 0.9986, '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/T11582', 'display_name': 'Nanopore and Nanochannel Transport Studies', 'score': 0.9977, 'subfield': {'id': 'https://openalex.org/subfields/2204', 'display_name': 'Biomedical Engineering'}, 'field': {'id': 'https://openalex.org/fields/22', 'display_name': 'Engineering'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/confined-water', 'display_name': 'Confined water', 'score': 0.50923884}, {'id': 'https://openalex.org/keywords/solvation-shell', 'display_name': 'Solvation shell', 'score': 0.4872145}], 'concepts': [{'id': 'https://openalex.org/C59593255', 'wikidata': 'https://www.wikidata.org/wiki/Q901663', 'display_name': 'Molecular dynamics', 'level': 2, 'score': 0.82314324}, {'id': 'https://openalex.org/C159467904', 'wikidata': 'https://www.wikidata.org/wiki/Q2001702', 'display_name': 'Chemical physics', 'level': 1, 'score': 0.77721995}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.7472487}, {'id': 'https://openalex.org/C162862793', 'wikidata': 'https://www.wikidata.org/wiki/Q178026', 'display_name': 'Fullerene', 'level': 2, 'score': 0.7388443}, {'id': 'https://openalex.org/C148093993', 'wikidata': 'https://www.wikidata.org/wiki/Q739398', 'display_name': 'Solvation', 'level': 3, 'score': 0.7345606}, {'id': 'https://openalex.org/C2776029896', 'wikidata': 'https://www.wikidata.org/wiki/Q3935810', 'display_name': 'Relaxation (psychology)', 'level': 2, 'score': 0.6318042}, {'id': 'https://openalex.org/C112887158', 'wikidata': 'https://www.wikidata.org/wiki/Q169324', 'display_name': 'Hydrogen bond', 'level': 3, 'score': 0.6295393}, {'id': 'https://openalex.org/C2994485952', 'wikidata': 'https://www.wikidata.org/wiki/Q59156858', 'display_name': 'Confined water', 'level': 3, 'score': 0.50923884}, {'id': 'https://openalex.org/C18762648', 'wikidata': 'https://www.wikidata.org/wiki/Q42213', 'display_name': 'Work (physics)', 'level': 2, 'score': 0.4972284}, {'id': 'https://openalex.org/C149823470', 'wikidata': 'https://www.wikidata.org/wiki/Q1088326', 'display_name': 'Solvation shell', 'level': 4, 'score': 0.4872145}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.46682757}, {'id': 'https://openalex.org/C2780357685', 'wikidata': 'https://www.wikidata.org/wiki/Q154357', 'display_name': 'Nano-', 'level': 2, 'score': 0.44733226}, {'id': 'https://openalex.org/C192562407', 'wikidata': 'https://www.wikidata.org/wiki/Q228736', 'display_name': 'Materials science', 'level': 0, 'score': 0.40209287}, {'id': 'https://openalex.org/C171250308', 'wikidata': 'https://www.wikidata.org/wiki/Q11468', 'display_name': 'Nanotechnology', 'level': 1, 'score': 0.34015465}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.2974205}, {'id': 'https://openalex.org/C97355855', 'wikidata': 'https://www.wikidata.org/wiki/Q11473', 'display_name': 'Thermodynamics', 'level': 1, 'score': 0.15962073}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.12545747}, {'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}, {'id': 'https://openalex.org/C159985019', 'wikidata': 'https://www.wikidata.org/wiki/Q181790', 'display_name': 'Composite material', 'level': 1, 'score': 0.0}], 'mesh': [], 'locations_count': 1, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1080/08927022.2014.998212', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S45504773', 'display_name': 'Molecular Simulation', 'issn_l': '0892-7022', 'issn': ['0892-7022', '1026-7638', '1029-0435'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320547', 'host_organization_name': 'Taylor & Francis', 'host_organization_lineage': ['https://openalex.org/P4310320547'], 'host_organization_lineage_names': ['Taylor & Francis'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [{'display_name': 'Clean water and sanitation', 'score': 0.82, 'id': 'https://metadata.un.org/sdg/6'}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 58, 'referenced_works': ['https://openalex.org/W1966570673', 'https://openalex.org/W1970829829', 'https://openalex.org/W1971462682', 'https://openalex.org/W1972956206', 'https://openalex.org/W1975613225', 'https://openalex.org/W1981581073', 'https://openalex.org/W1986948926', 'https://openalex.org/W1990047342', 'https://openalex.org/W1991794210', 'https://openalex.org/W1998957554', 'https://openalex.org/W2000133916', 'https://openalex.org/W2000894690', 'https://openalex.org/W2005615272', 'https://openalex.org/W2007734719', 'https://openalex.org/W2013885842', 'https://openalex.org/W2017196167', 'https://openalex.org/W2020856368', 'https://openalex.org/W2024891605', 'https://openalex.org/W2026447945', 'https://openalex.org/W2026788334', 'https://openalex.org/W2031272029', 'https://openalex.org/W2033030280', 'https://openalex.org/W2033879426', 'https://openalex.org/W2044183106', 'https://openalex.org/W2046802317', 'https://openalex.org/W2049475242', 'https://openalex.org/W2051638855', 'https://openalex.org/W2051729464', 'https://openalex.org/W2054864208', 'https://openalex.org/W2055230590', 'https://openalex.org/W2057055123', 'https://openalex.org/W2057742133', 'https://openalex.org/W2060696852', 'https://openalex.org/W2065329899', 'https://openalex.org/W2071267807', 'https://openalex.org/W2074201957', 'https://openalex.org/W2074202759', 'https://openalex.org/W2077494284', 'https://openalex.org/W2079470095', 'https://openalex.org/W2086295275', 'https://openalex.org/W2086615530', 'https://openalex.org/W2087493598', 'https://openalex.org/W2105120291', 'https://openalex.org/W2112945867', 'https://openalex.org/W2112947092', 'https://openalex.org/W2113971927', 'https://openalex.org/W2122199548', 'https://openalex.org/W2125253351', 'https://openalex.org/W2126525733', 'https://openalex.org/W2127896552', 'https://openalex.org/W2133394926', 'https://openalex.org/W2139677292', 'https://openalex.org/W2157677712', 'https://openalex.org/W2160544821', 'https://openalex.org/W2164442956', 'https://openalex.org/W2328564212', 'https://openalex.org/W2333955307', 'https://openalex.org/W3106429912'], 'related_works': ['https://openalex.org/W4242247773', 'https://openalex.org/W4231356318', 'https://openalex.org/W2579471528', 'https://openalex.org/W2142469308', 'https://openalex.org/W2070679687', 'https://openalex.org/W2055804837', 'https://openalex.org/W2042366629', 'https://openalex.org/W2040663074', 'https://openalex.org/W2018648187', 'https://openalex.org/W2009325851'], 'abstract_inverted_index': {'AbstractConfinement': [0], 'effects': [1, 51], 'can': [2, 66], 'lead': [3], 'to': [4, 48], 'drastic': [5], 'changes': [6], 'in': [7], 'the': [8, 50, 73, 77, 81, 110, 116, 125, 129, 137, 142, 158, 184, 203], 'structural': [9], 'and': [10, 39, 46, 148, 162, 165, 169], 'dynamical': [11], 'properties': [12], 'of': [13, 26, 29, 52, 101, 128, 152, 160, 167, 174, 198], 'water': [14, 56, 64, 104, 131], 'molecules.': [15, 132], 'In': [16, 118], 'this': [17, 119], 'work,': [18], 'we': [19, 134], 'have': [20, 135], 'performed': [21], 'classical': [22], 'molecular': [23], 'dynamics': [24, 127], 'simulations': [25], 'endohedral': [27], 'fullerenes': [28], 'type': [30], '(H2O)n@Cm': [31], '(n': [32], '=': [33, 41], '1,': [34], '12,': [35], '21,': [36], '62,': [37], '108': [38], 'm': [40], '60,': [42], '180,': [43], '240,': [44], '500': [45], '720)': [47], 'explore': [49], 'spherical': [53], 'confinement': [54], 'on': [55], 'properties.': [57], 'It': [58], 'is': [59, 88, 93, 176], 'shown': [60], 'that': [61, 151], 'these': [62, 102], 'confined': [63, 103], 'molecules': [65, 105], 'form': [67], 'distinct': [68], 'solvation': [69], 'pattern': [70], 'depending': [71], 'upon': [72], 'available': [74], 'space': [75], 'inside': [76], 'fullerene': [78], 'cavity.': [79], 'For': [80], 'systems': [82], 'with': [83, 150], 'smaller': [84], 'diameter,': [85], 'cage-like': [86, 122], 'structure': [87, 92, 123], 'predominant': [89], 'whereas': [90], 'bulk-like': [91], 'observed': [94], 'for': [95, 115], 'larger': [96], 'fullerenes.': [97], 'The': [98, 179], 'orientational': [99], 'relaxation': [100, 108], 'showed': [106], 'slower': [107], 'as': [109], 'cavity': [111], 'diameter': [112], 'increases': [113], 'except': [114], '(H2O)21@C240.': [117], 'case,': [120], 'stable': [121], 'hinders': [124], 'overall': [126], 'trapped': [130], 'Finally,': [133], 'calculated': [136], 'hydrogen': [138, 143], 'bond': [139, 144], 'lifetimes': [140], 'from': [141, 157], 'time': [145], 'correlation': [146], 'functions': [147], 'compared': [149], 'bulk': [153], 'water.': [154], 'AcknowledgementsFinancial': [155], 'supports': [156], 'Department': [159], 'Science': [161], 'Technology': [163], '(DST)': [164], 'Council': [166], 'Scientific': [168], 'Industrial': [170], 'Research': [171], '(CSIR),': [172], 'Government': [173], 'India,': [175], 'gratefully': [177], 'acknowledged.': [178], 'calculations': [180], 'were': [181], 'done': [182], 'using': [183], 'High': [185], 'Performance': [186], 'Computing': [187], '(HPC)': [188], 'facility': [189], 'at': [190], 'Computer': [191], 'Center,': [192], 'IIT': [193], 'Kanpur.Disclosure': [194], 'statementNo': [195], 'potential': [196], 'conflict': [197], 'interest': [199], 'was': [200], 'reported': [201], 'by': [202], 'authors.': [204]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2004981350', 'counts_by_year': [{'year': 2024, 'cited_by_count': 1}, {'year': 2023, 'cited_by_count': 1}, {'year': 2022, 'cited_by_count': 3}, {'year': 2021, 'cited_by_count': 1}, {'year': 2020, 'cited_by_count': 1}, {'year': 2019, 'cited_by_count': 5}, {'year': 2017, 'cited_by_count': 2}, {'year': 2016, 'cited_by_count': 2}, {'year': 2015, 'cited_by_count': 2}], 'updated_date': '2024-12-12T10:18:14.957723', 'created_date': '2016-06-24'}