{"id":"https://openalex.org/W2000457152","doi":"https://doi.org/10.1007/s11224-010-9621-y","title":"Density functional theory and topological analysis on the hydrogen bonding interactions in N-protonated adrenaline\u2013DMSO complexes","display_name":"Density functional theory and topological analysis on the hydrogen bonding interactions in N-protonated adrenaline\u2013DMSO complexes","publication_year":2010,"publication_date":"2010-05-17","ids":{"openalex":"https://openalex.org/W2000457152","doi":"https://doi.org/10.1007/s11224-010-9621-y","mag":"2000457152"},"language":"en","primary_location":{"id":"doi:10.1007/s11224-010-9621-y","doi":"https://doi.org/10.1007/s11224-010-9621-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s11224-010-9621-y","pdf_url":null,"source":{"id":"https://openalex.org/S30784254","display_name":"Structural Chemistry","issn_l":"1040-0400","issn":["1040-0400","1572-9001"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Structural Chemistry","raw_type":"journal-article"},"parent_works":[],"lineage":["https://openalex.org/W2000457152"],"child_works_count":0,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5022207609","display_name":"Zhengguo Huang","orcid":"https://orcid.org/0000-0002-9805-479X","observed_orcids":["https://orcid.org/0000-0002-9805-479X"]},"institutions":[{"id":"https://openalex.org/I15062923","display_name":"Tianjin Normal University","ror":"https://ror.org/05x2td559","country_code":"CN","type":"education","lineage":["https://openalex.org/I15062923"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Zhengguo Huang","raw_affiliation_strings":["Tianjin Key Laboratory of Structure and Performance for Functional Molecule, College of Chemistry, Tianjin Normal University, Tianjin, 300387, People\u2019s Republic of China","Tianjin Normal Univ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Tianjin Key Laboratory of Structure and Performance for Functional Molecule, College of Chemistry, Tianjin Normal University, Tianjin, 300387, People\u2019s Republic of China","institution_ids":["https://openalex.org/I15062923"]},{"raw_affiliation_string":"Tianjin Normal Univ","institution_ids":["https://openalex.org/I15062923"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050881843","display_name":"Yu-Mei Dai","orcid":"https://orcid.org/0000-0002-0601-1806","observed_orcids":["https://orcid.org/0000-0002-0601-1806"]},"institutions":[{"id":"https://openalex.org/I15062923","display_name":"Tianjin Normal University","ror":"https://ror.org/05x2td559","country_code":"CN","type":"education","lineage":["https://openalex.org/I15062923"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yumei Dai","raw_affiliation_strings":["Tianjin Key Laboratory of Structure and Performance for Functional Molecule, College of Chemistry, Tianjin Normal University, Tianjin, 300387, People\u2019s Republic of China","Tianjin Normal Univ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Tianjin Key Laboratory of Structure and Performance for Functional Molecule, College of Chemistry, Tianjin Normal University, Tianjin, 300387, People\u2019s Republic of China","institution_ids":["https://openalex.org/I15062923"]},{"raw_affiliation_string":"Tianjin Normal Univ","institution_ids":["https://openalex.org/I15062923"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5049180328","display_name":"Lei Yu","orcid":"https://orcid.org/0000-0003-3975-8903","observed_orcids":["https://orcid.org/0000-0003-3975-8903","https://orcid.org/0000-0002-7282-8005"]},"institutions":[{"id":"https://openalex.org/I15062923","display_name":"Tianjin Normal University","ror":"https://ror.org/05x2td559","country_code":"CN","type":"education","lineage":["https://openalex.org/I15062923"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lei Yu","raw_affiliation_strings":["Tianjin Key Laboratory of Structure and Performance for Functional Molecule, College of Chemistry, Tianjin Normal University, Tianjin, 300387, People\u2019s Republic of China","Tianjin Normal Univ"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Tianjin Key Laboratory of Structure and Performance for Functional Molecule, College of Chemistry, Tianjin Normal University, Tianjin, 300387, People\u2019s Republic of China","institution_ids":["https://openalex.org/I15062923"]},{"raw_affiliation_string":"Tianjin Normal Univ","institution_ids":["https://openalex.org/I15062923"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5022207609"],"corresponding_institution_ids":["https://openalex.org/I15062923"],"apc_list":{"value":3990,"currency":"USD","value_usd":3990},"apc_paid":null,"fwci":1.9474,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.8360231,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":97},"biblio":{"volume":"21","issue":"4","first_page":"863","last_page":"872"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10798","display_name":"Crystallography and molecular interactions","score":0.9970999956130981,"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":0.9970999956130981,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.00139999995008111,"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0008999999845400453,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.7609999775886536},{"id":"https://openalex.org/keywords/epinephrine","display_name":"epinephrine","score":0.796999990940094},{"id":"https://openalex.org/keywords/dimethyl-sulfoxide","display_name":"dimethyl sulfoxide","score":0.828000009059906},{"id":"https://openalex.org/keywords/hydrogen-bonded-complexes","display_name":"hydrogen-bonded complexes","score":0.6349999904632568},{"id":"https://openalex.org/keywords/hydrogen-bond-acceptors","display_name":"hydrogen bond acceptors","score":0.6520000100135803},{"id":"https://openalex.org/keywords/complex-stability","display_name":"complex stability","score":0.8870000243186951},{"id":"https://openalex.org/keywords/ir-vibrational-frequencies","display_name":"IR vibrational frequencies","score":0.6179999709129333},{"id":"https://openalex.org/keywords/nbo-analysis","display_name":"natural bond orbital analysis","score":0.7609999775886536},{"id":"https://openalex.org/keywords/qtaim-analysis","display_name":"QTAIM analysis","score":0.675000011920929}],"concepts":[{"id":"https://openalex.org/C130188946","wikidata":"https://www.wikidata.org/wiki/Q4391470","display_name":"Natural bond orbital","level":3,"score":0.9419071078300476},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9043838977813721},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.8315398097038269},{"id":"https://openalex.org/C63385615","wikidata":"https://www.wikidata.org/wiki/Q2869600","display_name":"Atoms in molecules","level":3,"score":0.6917115449905396},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6611611843109131},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.5757566690444946},{"id":"https://openalex.org/C139286075","wikidata":"https://www.wikidata.org/wiki/Q909717","display_name":"Low-barrier hydrogen bond","level":4,"score":0.5610184669494629},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.5010149478912354},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.48537909984588623},{"id":"https://openalex.org/C196138700","wikidata":"https://www.wikidata.org/wiki/Q907613","display_name":"Three-center two-electron bond","level":5,"score":0.48523902893066406},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4699055552482605},{"id":"https://openalex.org/C124600460","wikidata":"https://www.wikidata.org/wiki/Q842809","display_name":"Bond order","level":4,"score":0.41636621952056885},{"id":"https://openalex.org/C86194371","wikidata":"https://www.wikidata.org/wiki/Q901853","display_name":"Quadruple bond","level":5,"score":0.4122433662414551},{"id":"https://openalex.org/C155860418","wikidata":"https://www.wikidata.org/wiki/Q863695","display_name":"Bond length","level":3,"score":0.2887471318244934},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.11264201998710632},{"id":"https://openalex.org/C115624301","wikidata":"https://www.wikidata.org/wiki/Q895901","display_name":"Crystal structure","level":2,"score":0.10994696617126465},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1007/s11224-010-9621-y","doi":"https://doi.org/10.1007/s11224-010-9621-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s11224-010-9621-y","pdf_url":null,"source":{"id":"https://openalex.org/S30784254","display_name":"Structural Chemistry","issn_l":"1040-0400","issn":["1040-0400","1572-9001"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-d","jufo-1","norway-1","poland-70","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Structural Chemistry","raw_type":"journal-article"},{"id":"mag:3149176015","doi":null,"is_oa":false,"landing_page_url":"http://rd.springer.com/content/pdf/10.1007%2Fs11224-010-9621-y.pdf","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W257818699","https://openalex.org/W1597773817","https://openalex.org/W1600906090","https://openalex.org/W1901357238","https://openalex.org/W1969169061","https://openalex.org/W1971275758","https://openalex.org/W1974625152","https://openalex.org/W1975025040","https://openalex.org/W1975708211","https://openalex.org/W1982538108","https://openalex.org/W1986040482","https://openalex.org/W1991127835","https://openalex.org/W1991996171","https://openalex.org/W1997523278","https://openalex.org/W2008382162","https://openalex.org/W2016770808","https://openalex.org/W2023271753","https://openalex.org/W2033207734","https://openalex.org/W2034985109","https://openalex.org/W2035849751","https://openalex.org/W2038767330","https://openalex.org/W2054136918","https://openalex.org/W2058171010","https://openalex.org/W2058577519","https://openalex.org/W2082702508","https://openalex.org/W2086957099","https://openalex.org/W2102269931","https://openalex.org/W2102394402","https://openalex.org/W2109791983","https://openalex.org/W2148941593","https://openalex.org/W2483548563","https://openalex.org/W3152820221","https://openalex.org/W4388166534"],"related_works":["https://openalex.org/W2067501561","https://openalex.org/W4317639029","https://openalex.org/W1991936978","https://openalex.org/W2091411730","https://openalex.org/W4282939462","https://openalex.org/W1976921455","https://openalex.org/W2503913341","https://openalex.org/W3110252781","https://openalex.org/W2035730254","https://openalex.org/W2296153577"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":1},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":3}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}
