Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2022237271', 'doi': 'https://doi.org/10.1021/ja0013531', 'title': 'Olefinic vs Aromatic π−H Interaction: A Theoretical Investigation of the Nature of Interaction of First-row Hydrides with Ethene and Benzene', 'display_name': 'Olefinic vs Aromatic π−H Interaction: A Theoretical Investigation of the Nature of Interaction of First-row Hydrides with Ethene and Benzene', 'publication_year': 2001, 'publication_date': '2001-03-20', 'ids': {'openalex': 'https://openalex.org/W2022237271', 'doi': 'https://doi.org/10.1021/ja0013531', 'mag': '2022237271', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/11457068'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ja0013531', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S111155417', 'display_name': 'Journal of the American Chemical Society', 'issn_l': '0002-7863', 'issn': ['0002-7863', '1520-5126', '1943-2984'], '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/A5085032430', 'display_name': 'P. Tarakeshwar', 'orcid': 'https://orcid.org/0000-0002-0893-0670'}, 'institutions': [{'id': 'https://openalex.org/I123900574', 'display_name': 'Pohang University of Science and Technology', 'ror': 'https://ror.org/04xysgw12', 'country_code': 'KR', 'type': 'education', 'lineage': ['https://openalex.org/I123900574']}], 'countries': ['KR'], 'is_corresponding': False, 'raw_author_name': 'P. Tarakeshwar', 'raw_affiliation_strings': ['Contribution from the National Creative Research Initiative Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Pohang 790-784, Korea'], 'affiliations': [{'raw_affiliation_string': 'Contribution from the National Creative Research Initiative Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Pohang 790-784, Korea', 'institution_ids': ['https://openalex.org/I123900574']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5041196388', 'display_name': 'Hyuk Choi', 'orcid': 'https://orcid.org/0000-0002-7899-2631'}, 'institutions': [{'id': 'https://openalex.org/I123900574', 'display_name': 'Pohang University of Science and Technology', 'ror': 'https://ror.org/04xysgw12', 'country_code': 'KR', 'type': 'education', 'lineage': ['https://openalex.org/I123900574']}], 'countries': ['KR'], 'is_corresponding': False, 'raw_author_name': 'Hyuk Soon Choi', 'raw_affiliation_strings': ['Contribution from the National Creative Research Initiative Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Pohang 790-784, Korea'], 'affiliations': [{'raw_affiliation_string': 'Contribution from the National Creative Research Initiative Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Pohang 790-784, Korea', 'institution_ids': ['https://openalex.org/I123900574']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5100786285', 'display_name': 'Kwang S. Kim', 'orcid': 'https://orcid.org/0000-0002-6929-5359'}, 'institutions': [{'id': 'https://openalex.org/I123900574', 'display_name': 'Pohang University of Science and Technology', 'ror': 'https://ror.org/04xysgw12', 'country_code': 'KR', 'type': 'education', 'lineage': ['https://openalex.org/I123900574']}], 'countries': ['KR'], 'is_corresponding': False, 'raw_author_name': 'Kwang S. Kim', 'raw_affiliation_strings': ['Contribution from the National Creative Research Initiative Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Pohang 790-784, Korea'], 'affiliations': [{'raw_affiliation_string': 'Contribution from the National Creative Research Initiative Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyojadong, Pohang 790-784, Korea', 'institution_ids': ['https://openalex.org/I123900574']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 16.395, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 196, 'citation_normalized_percentile': {'value': 0.977037, 'is_in_top_1_percent': False, 'is_in_top_10_percent': True}, 'cited_by_percentile_year': {'min': 98, 'max': 99}, 'biblio': {'volume': '123', 'issue': '14', 'first_page': '3323', 'last_page': '3331'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10798', 'display_name': 'Crystallography and molecular interactions', 'score': 1.0, 'subfield': {'id': 'https://openalex.org/subfields/1606', 'display_name': 'Physical and Theoretical 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/T10798', 'display_name': 'Crystallography and molecular interactions', 'score': 1.0, 'subfield': {'id': 'https://openalex.org/subfields/1606', 'display_name': 'Physical and Theoretical 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/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/T12967', 'display_name': 'Molecular Spectroscopy and Structure', 'score': 0.9998, 'subfield': {'id': 'https://openalex.org/subfields/1607', 'display_name': 'Spectroscopy'}, 'field': {'id': 'https://openalex.org/fields/16', 'display_name': 'Chemistry'}, 'domain': {'id': 'https://openalex.org/domains/3', 'display_name': 'Physical Sciences'}}], 'keywords': [{'id': 'https://openalex.org/keywords/pi-interaction', 'display_name': 'Pi interaction', 'score': 0.73587006}, {'id': 'https://openalex.org/keywords/electronegativity', 'display_name': 'Electronegativity', 'score': 0.7228768}, {'id': 'https://openalex.org/keywords/interaction-energy', 'display_name': 'Interaction energy', 'score': 0.6633821}, {'id': 'https://openalex.org/keywords/inductive-effect', 'display_name': 'Inductive effect', 'score': 0.54950583}, {'id': 'https://openalex.org/keywords/non-covalent-interactions', 'display_name': 'Non-covalent interactions', 'score': 0.45751163}, {'id': 'https://openalex.org/keywords/exchange-interaction', 'display_name': 'Exchange interaction', 'score': 0.41954485}, {'id': 'https://openalex.org/keywords/electrostatic-interaction', 'display_name': 'Electrostatic interaction', 'score': 0.41497874}], 'concepts': [{'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.92350847}, {'id': 'https://openalex.org/C88291069', 'wikidata': 'https://www.wikidata.org/wiki/Q7189982', 'display_name': 'Pi interaction', 'level': 2, 'score': 0.73587006}, {'id': 'https://openalex.org/C177293861', 'wikidata': 'https://www.wikidata.org/wiki/Q78974', 'display_name': 'Electronegativity', 'level': 2, 'score': 0.7228768}, {'id': 'https://openalex.org/C22499117', 'wikidata': 'https://www.wikidata.org/wiki/Q2253702', 'display_name': 'Interaction energy', 'level': 3, 'score': 0.6633821}, {'id': 'https://openalex.org/C93282013', 'wikidata': 'https://www.wikidata.org/wiki/Q420754', 'display_name': 'Binding energy', 'level': 2, 'score': 0.62397027}, {'id': 'https://openalex.org/C147417210', 'wikidata': 'https://www.wikidata.org/wiki/Q898645', 'display_name': 'Inductive effect', 'level': 2, 'score': 0.54950583}, {'id': 'https://openalex.org/C2777691172', 'wikidata': 'https://www.wikidata.org/wiki/Q2270', 'display_name': 'Benzene', 'level': 2, 'score': 0.5357887}, {'id': 'https://openalex.org/C2781442258', 'wikidata': 'https://www.wikidata.org/wiki/Q46310', 'display_name': 'Ab initio', 'level': 2, 'score': 0.4750257}, {'id': 'https://openalex.org/C137277065', 'wikidata': 'https://www.wikidata.org/wiki/Q2915446', 'display_name': 'Non-covalent interactions', 'level': 4, 'score': 0.45751163}, {'id': 'https://openalex.org/C147597530', 'wikidata': 'https://www.wikidata.org/wiki/Q369472', 'display_name': 'Computational chemistry', 'level': 1, 'score': 0.45666888}, {'id': 'https://openalex.org/C54516573', 'wikidata': 'https://www.wikidata.org/wiki/Q2294', 'display_name': 'Proton', 'level': 2, 'score': 0.4273755}, {'id': 'https://openalex.org/C183971685', 'wikidata': 'https://www.wikidata.org/wiki/Q547605', 'display_name': 'Ab initio quantum chemistry methods', 'level': 3, 'score': 0.42002076}, {'id': 'https://openalex.org/C174771821', 'wikidata': 'https://www.wikidata.org/wiki/Q780736', 'display_name': 'Exchange interaction', 'level': 3, 'score': 0.41954485}, {'id': 'https://openalex.org/C192386470', 'wikidata': 'https://www.wikidata.org/wiki/Q210390', 'display_name': 'Aromaticity', 'level': 3, 'score': 0.4188181}, {'id': 'https://openalex.org/C2982804355', 'wikidata': 'https://www.wikidata.org/wiki/Q26336', 'display_name': 'Electrostatic interaction', 'level': 2, 'score': 0.41497874}, {'id': 'https://openalex.org/C8010536', 'wikidata': 'https://www.wikidata.org/wiki/Q160398', 'display_name': 'Crystallography', 'level': 1, 'score': 0.40649173}, {'id': 'https://openalex.org/C184779094', 'wikidata': 'https://www.wikidata.org/wiki/Q26383', 'display_name': 'Atomic physics', 'level': 1, 'score': 0.31713146}, {'id': 'https://openalex.org/C112887158', 'wikidata': 'https://www.wikidata.org/wiki/Q169324', 'display_name': 'Hydrogen bond', 'level': 3, 'score': 0.28240877}, {'id': 'https://openalex.org/C159467904', 'wikidata': 'https://www.wikidata.org/wiki/Q2001702', 'display_name': 'Chemical physics', 'level': 1, 'score': 0.2302278}, {'id': 'https://openalex.org/C32909587', 'wikidata': 'https://www.wikidata.org/wiki/Q11369', 'display_name': 'Molecule', 'level': 2, 'score': 0.16697297}, {'id': 'https://openalex.org/C178790620', 'wikidata': 'https://www.wikidata.org/wiki/Q11351', 'display_name': 'Organic chemistry', 'level': 1, 'score': 0.116859525}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.0}, {'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/C82217956', 'wikidata': 'https://www.wikidata.org/wiki/Q184207', 'display_name': 'Ferromagnetism', 'level': 2, 'score': 0.0}], 'mesh': [], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ja0013531', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S111155417', 'display_name': 'Journal of the American Chemical Society', 'issn_l': '0002-7863', 'issn': ['0002-7863', '1520-5126', '1943-2984'], '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/11457068', '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': [{'score': 0.88, 'id': 'https://metadata.un.org/sdg/7', 'display_name': 'Affordable and clean energy'}], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 50, 'referenced_works': ['https://openalex.org/W1490016045', 'https://openalex.org/W1584675441', 'https://openalex.org/W187801720', 'https://openalex.org/W1970900112', 'https://openalex.org/W1975733121', 'https://openalex.org/W1978999731', 'https://openalex.org/W1982263362', 'https://openalex.org/W1983470204', 'https://openalex.org/W1984803391', 'https://openalex.org/W1987021518', 'https://openalex.org/W1990886938', 'https://openalex.org/W1997830777', 'https://openalex.org/W2004660376', 'https://openalex.org/W2006139126', 'https://openalex.org/W2011447313', 'https://openalex.org/W2012601498', 'https://openalex.org/W2014849507', 'https://openalex.org/W2015179878', 'https://openalex.org/W2022863111', 'https://openalex.org/W2024044281', 'https://openalex.org/W2025297766', 'https://openalex.org/W2027270865', 'https://openalex.org/W2028578344', 'https://openalex.org/W2029610217', 'https://openalex.org/W2031203648', 'https://openalex.org/W2033076742', 'https://openalex.org/W2036248673', 'https://openalex.org/W2038767330', 'https://openalex.org/W2042325290', 'https://openalex.org/W2048750750', 'https://openalex.org/W2050890227', 'https://openalex.org/W2055714796', 'https://openalex.org/W2056551928', 'https://openalex.org/W2060732382', 'https://openalex.org/W2067525337', 'https://openalex.org/W2067887310', 'https://openalex.org/W2068940653', 'https://openalex.org/W2069006374', 'https://openalex.org/W2072955635', 'https://openalex.org/W2075367457', 'https://openalex.org/W2076231220', 'https://openalex.org/W2091402460', 'https://openalex.org/W2132743159', 'https://openalex.org/W2145996193', 'https://openalex.org/W2148941593', 'https://openalex.org/W2152188441', 'https://openalex.org/W2952344990', 'https://openalex.org/W4244661828', 'https://openalex.org/W4388225008', 'https://openalex.org/W577006928'], 'related_works': ['https://openalex.org/W4385213909', 'https://openalex.org/W2996825126', 'https://openalex.org/W2333295097', 'https://openalex.org/W2162284724', 'https://openalex.org/W2145685983', 'https://openalex.org/W2111893038', 'https://openalex.org/W2056475634', 'https://openalex.org/W2022237271', 'https://openalex.org/W2014699194', 'https://openalex.org/W1987561938'], 'abstract_inverted_index': {'The': [0, 38, 84, 180, 193], 'nature': [1], 'and': [2, 13, 25, 94, 130, 177], 'origin': [3], 'of': [4, 17, 44, 75, 86, 88, 98, 138, 148, 158, 168, 182, 201, 218, 226], 'the': [5, 10, 18, 42, 45, 67, 73, 76, 80, 89, 99, 106, 113, 125, 136, 139, 146, 159, 166, 183, 190, 197, 216, 219, 227], 'pi-H': [6, 46, 115, 141], 'interaction': [7, 47, 116, 170], 'in': [8, 69, 135, 175, 196], 'both': [9, 128], 'ethene': [11], '(olefinic)': [12], 'benzene': [14], '(aromatic)': [15], 'complexes': [16, 204], 'first-row': [19], 'hydrides': [20], '(BH(3),': [21], 'CH(4),': [22], 'NH(3),': [23], 'H(2)O,': [24], 'HF)': [26], 'has': [27], 'been': [28], 'investigated': [29], 'by': [30, 66], 'carrying': [31], 'out': [32], 'high': [33], 'level': [34], 'ab': [35], 'initio': [36], 'calculations.': [37], 'results': [39], 'indicate': [40], 'that': [41], 'strength': [43], 'is': [48, 109, 151, 186], 'enhanced': [49], 'as': [50, 117, 205], 'one': [51], 'progresses': [52], 'from': [53, 120, 208], 'CH(4)': [54, 209], 'to': [55, 79, 112, 122, 153, 189, 210, 215], 'HF.': [56, 123], 'Unlike': [57], 'conventional': [58], 'H-bonds,': [59], 'this': [60], 'enhancement': [61], 'cannot': [62], 'be': [63, 213], 'simply': [64], 'explained': [65], 'increase': [68, 195], 'electrostatic': [70, 129], 'interactions': [71], 'or': [72], 'electronegativity': [74], 'atom': [77], 'bound': [78], 'pi': [81, 203, 228], 'H-bonded': [82], 'proton.': [83], 'contributions': [85], 'each': [87], 'attractive': [90], '(electrostatic,': [91], 'inductive,': [92], 'dispersive)': [93], 'repulsive': [95], 'exchange': [96, 198], 'components': [97, 172], 'total': [100], 'binding': [101, 160], 'energy': [102, 108, 171], 'are': [103, 133], 'important.': [104], 'Thus,': [105], 'inductive': [107, 131, 191], 'highly': [110, 187, 220], 'correlated': [111, 188, 214], 'olefinic': [114], 'we': [118, 206], 'progress': [119, 207], 'CH(3)': [121], 'On': [124], 'other': [126], 'hand,': [127], 'energies': [132, 150, 200], 'important': [134], 'description': [137], 'aromatic': [140], 'interaction.': [142, 192], 'In': [143], 'either': [144], 'case,': [145], 'contribution': [147], 'dispersion': [149], 'vital': [152], 'obtain': [154], 'an': [155], 'accurate': [156], 'estimate': [157], 'energy.': [161], 'We': [162], 'also': [163], 'elaborate': [164], 'on': [165], 'correlation': [167], 'various': [169], 'with': [173], 'changes': [174], 'geometries': [176], 'vibrational': [178], 'frequencies.': [179], 'red-shift': [181], 'nu(Y-H)': [184], 'mode': [185, 225], 'dramatic': [194], 'repulsion': [199], 'these': [202], 'HF': [211], 'can': [212], 'blue-shift': [217], 'IR': [221], 'active': [222], 'out-of-plane': [223], 'bending': [224], 'system.': [229]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2022237271', 'counts_by_year': [{'year': 2024, 'cited_by_count': 1}, {'year': 2023, 'cited_by_count': 1}, {'year': 2022, 'cited_by_count': 4}, {'year': 2020, 'cited_by_count': 6}, {'year': 2019, 'cited_by_count': 6}, {'year': 2018, 'cited_by_count': 6}, {'year': 2017, 'cited_by_count': 3}, {'year': 2016, 'cited_by_count': 6}, {'year': 2015, 'cited_by_count': 6}, {'year': 2014, 'cited_by_count': 9}, {'year': 2013, 'cited_by_count': 6}, {'year': 2012, 'cited_by_count': 13}], 'updated_date': '2024-12-08T06:44:16.432487', 'created_date': '2016-06-24'}