{"id":"https://openalex.org/W4283318249","doi":"https://doi.org/10.1007/s00214-022-02895-5","title":"DFT investigation on the effect of the permutation of some electron donating and accepting groups in the charge transfer process within 2-((E)-[2-hydroxyphenyl)imino] methyl)phenol","display_name":"DFT investigation on the effect of the permutation of some electron donating and accepting groups in the charge transfer process within 2-((E)-[2-hydroxyphenyl)imino] methyl)phenol","publication_year":2022,"publication_date":"2022-06-23","ids":{"openalex":"https://openalex.org/W4283318249","doi":"https://doi.org/10.1007/s00214-022-02895-5"},"language":"en","primary_location":{"id":"doi:10.1007/s00214-022-02895-5","doi":"https://doi.org/10.1007/s00214-022-02895-5","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00214-022-02895-5","pdf_url":null,"source":{"id":"https://openalex.org/S81945236","display_name":"Theoretical Chemistry Accounts","issn_l":"1432-2234","issn":["1432-2234","1432-881X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-3","vabb-shw"],"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":"Theoretical Chemistry Accounts","raw_type":"journal-article"},"volume":null,"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/A5039159749","display_name":"Charles Bernard Nwamba Tessa","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I178331978","display_name":"Universit\u00e9 de Dschang","ror":"https://ror.org/0566t4z20","country_code":"CM","type":"education","lineage":["https://openalex.org/I178331978"]}],"countries":["CM"],"is_corresponding":false,"raw_author_name":"Charles Bernard Nwamba Tessa","raw_affiliation_strings":["Department of Chemistry, Faculty of Science, University of Dschang, Research Unit of Noxious Chemistry and Environmental Engineering, P.O. Box 67, Dschang, Cameroon"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, University of Dschang, Research Unit of Noxious Chemistry and Environmental Engineering, P.O. Box 67, Dschang, Cameroon","institution_ids":["https://openalex.org/I178331978"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021665853","display_name":"Aymard Didier Tamafo Fou\u00e9gu\u00e9","orcid":"https://orcid.org/0000-0002-2840-4459","observed_orcids":["https://orcid.org/0000-0002-2840-4459"]},"institutions":[{"id":"https://openalex.org/I4405263204","display_name":"Universit\u00e9 de Bertoua","ror":"https://ror.org/03wg5vy88","country_code":"CM","type":"education","lineage":["https://openalex.org/I4405263204"]}],"countries":["CM"],"is_corresponding":true,"raw_author_name":"Aymard Didier Tamafo Fouegue","raw_affiliation_strings":["Department of Chemistry, Higher Teacher Training College Bertoua, The University of Bertoua, P. O. Box 652, Bertoua, Cameroon"],"raw_orcid":"https://orcid.org/0000-0002-2840-4459","affiliations":[{"raw_affiliation_string":"Department of Chemistry, Higher Teacher Training College Bertoua, The University of Bertoua, P. O. Box 652, Bertoua, Cameroon","institution_ids":["https://openalex.org/I4405263204"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5004593216","display_name":"Jean Hubert Nono","orcid":"https://orcid.org/0000-0003-3635-8365","observed_orcids":["https://orcid.org/0000-0003-3635-8365"]},"institutions":[{"id":"https://openalex.org/I263774594","display_name":"University of Bamenda","ror":"https://ror.org/031ahrf94","country_code":"CM","type":"education","lineage":["https://openalex.org/I263774594"]},{"id":"https://openalex.org/I4405259647","display_name":"National Polytechnic University Institute Bamenda","ror":"https://ror.org/02gk6az84","country_code":"CM","type":"education","lineage":["https://openalex.org/I4405259647"]}],"countries":["CM"],"is_corresponding":false,"raw_author_name":"Jean Hubert Nono","raw_affiliation_strings":["Department of Mining and Mineral Engineering, National Higher Polytechnic Institute, The University of Bamenda, P. O.Box 39, Bambili-Bamenda, Cameroon"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Mining and Mineral Engineering, National Higher Polytechnic Institute, The University of Bamenda, P. O.Box 39, Bambili-Bamenda, Cameroon","institution_ids":["https://openalex.org/I263774594","https://openalex.org/I4405259647"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043610961","display_name":"Fritzgerald Kogge Bine","orcid":"https://orcid.org/0000-0002-8754-7871","observed_orcids":["https://orcid.org/0000-0002-8754-7871"]},"institutions":[{"id":"https://openalex.org/I178331978","display_name":"Universit\u00e9 de Dschang","ror":"https://ror.org/0566t4z20","country_code":"CM","type":"education","lineage":["https://openalex.org/I178331978"]}],"countries":["CM"],"is_corresponding":false,"raw_author_name":"Fritzgerald Kogge Bine","raw_affiliation_strings":["Department of Chemistry, Faculty of Science, University of Dschang, Research Unit of Noxious Chemistry and Environmental Engineering, P.O. Box 67, Dschang, Cameroon"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, University of Dschang, Research Unit of Noxious Chemistry and Environmental Engineering, P.O. Box 67, Dschang, Cameroon","institution_ids":["https://openalex.org/I178331978"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5005017084","display_name":"Julius Numbonui Ghogomu","orcid":"https://orcid.org/0000-0002-2445-706X","observed_orcids":["https://orcid.org/0000-0002-2445-706X"]},"institutions":[{"id":"https://openalex.org/I178331978","display_name":"Universit\u00e9 de Dschang","ror":"https://ror.org/0566t4z20","country_code":"CM","type":"education","lineage":["https://openalex.org/I178331978"]},{"id":"https://openalex.org/I263774594","display_name":"University of Bamenda","ror":"https://ror.org/031ahrf94","country_code":"CM","type":"education","lineage":["https://openalex.org/I263774594"]}],"countries":["CM"],"is_corresponding":true,"raw_author_name":"Julius Numbonui Ghogomu","raw_affiliation_strings":["Department of Chemistry, Faculty of Science, The University of Bamenda, P.O. Box 39, Bambili-Bamenda, Cameroon","Department of Chemistry, Faculty of Science, University of Dschang, Research Unit of Noxious Chemistry and Environmental Engineering, P.O. Box 67, Dschang, Cameroon"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, The University of Bamenda, P.O. Box 39, Bambili-Bamenda, Cameroon","institution_ids":["https://openalex.org/I263774594"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, University of Dschang, Research Unit of Noxious Chemistry and Environmental Engineering, P.O. Box 67, Dschang, Cameroon","institution_ids":["https://openalex.org/I178331978"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5005017084","https://openalex.org/A5021665853"],"corresponding_institution_ids":["https://openalex.org/I178331978","https://openalex.org/I263774594","https://openalex.org/I4405263204"],"apc_list":{"value":3280,"currency":"USD","value_usd":3280},"apc_paid":null,"fwci":0.1773,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.23473541,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":95},"biblio":{"volume":"141","issue":"7","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T11788","display_name":"Nonlinear Optical Materials Studies","score":0.0,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"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/T10798","display_name":"Crystallography and molecular interactions","score":0.0,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/imine-derivatives","display_name":"imine derivatives","score":0.6169999837875366},{"id":"https://openalex.org/keywords/charge-transfer","display_name":"charge transfer","score":0.777999997138977},{"id":"https://openalex.org/keywords/nonlinear-optical-properties","display_name":"nonlinear optical properties","score":0.8830000162124634},{"id":"https://openalex.org/keywords/hyperpolarizability","display_name":"hyperpolarizability","score":0.8619999885559082},{"id":"https://openalex.org/keywords/optical-kerr-effect","display_name":"optical Kerr effect","score":0.9739999771118164},{"id":"https://openalex.org/keywords/electric-field-induced-second-harmonic-generation","display_name":"electric field induced second harmonic generation","score":0.9409999847412109},{"id":"https://openalex.org/keywords/urea-analogues","display_name":"urea analogues","score":0.5070000290870667}],"concepts":[{"id":"https://openalex.org/C2780694488","wikidata":"https://www.wikidata.org/wiki/Q2477036","display_name":"Hyperpolarizability","level":4,"score":0.7215163707733154},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7191141843795776},{"id":"https://openalex.org/C139287275","wikidata":"https://www.wikidata.org/wiki/Q869891","display_name":"Polarizability","level":3,"score":0.5606264472007751},{"id":"https://openalex.org/C2776573223","wikidata":"https://www.wikidata.org/wiki/Q408057","display_name":"Imine","level":3,"score":0.5437982082366943},{"id":"https://openalex.org/C188082385","wikidata":"https://www.wikidata.org/wiki/Q73792","display_name":"Charge (physics)","level":2,"score":0.4462326467037201},{"id":"https://openalex.org/C2779892579","wikidata":"https://www.wikidata.org/wiki/Q912138","display_name":"Acceptor","level":2,"score":0.4316726326942444},{"id":"https://openalex.org/C2778659115","wikidata":"https://www.wikidata.org/wiki/Q243992","display_name":"Furan","level":2,"score":0.43016746640205383},{"id":"https://openalex.org/C75473681","wikidata":"https://www.wikidata.org/wiki/Q188651","display_name":"Photochemistry","level":1,"score":0.3574005961418152},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3477817177772522},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1932203471660614},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.13058948516845703},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"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/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1007/s00214-022-02895-5","doi":"https://doi.org/10.1007/s00214-022-02895-5","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00214-022-02895-5","pdf_url":null,"source":{"id":"https://openalex.org/S81945236","display_name":"Theoretical Chemistry Accounts","issn_l":"1432-2234","issn":["1432-2234","1432-881X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-c","jufo-1","norway-1","poland-70","russia-white-list-3","vabb-shw"],"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":"Theoretical Chemistry Accounts","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":56,"referenced_works":["https://openalex.org/W1653050201","https://openalex.org/W1910650452","https://openalex.org/W1981111904","https://openalex.org/W1986304827","https://openalex.org/W1987186598","https://openalex.org/W1993943609","https://openalex.org/W1995311605","https://openalex.org/W2000394742","https://openalex.org/W2004091633","https://openalex.org/W2005814415","https://openalex.org/W2010624607","https://openalex.org/W2012223359","https://openalex.org/W2017067837","https://openalex.org/W2021993915","https://openalex.org/W2022950330","https://openalex.org/W2023303947","https://openalex.org/W2044479853","https://openalex.org/W2044654330","https://openalex.org/W2046106235","https://openalex.org/W2046412723","https://openalex.org/W2058167549","https://openalex.org/W2063620314","https://openalex.org/W2078375469","https://openalex.org/W2089962804","https://openalex.org/W2091288854","https://openalex.org/W2098668680","https://openalex.org/W2132525235","https://openalex.org/W2139957971","https://openalex.org/W2150697053","https://openalex.org/W2165809724","https://openalex.org/W2332448962","https://openalex.org/W2343448508","https://openalex.org/W2519972639","https://openalex.org/W2526018486","https://openalex.org/W2539341648","https://openalex.org/W2546777897","https://openalex.org/W2567301429","https://openalex.org/W2584419792","https://openalex.org/W2603248595","https://openalex.org/W2726205352","https://openalex.org/W2738015656","https://openalex.org/W2750331084","https://openalex.org/W2769761900","https://openalex.org/W2883809235","https://openalex.org/W2901038534","https://openalex.org/W2906998809","https://openalex.org/W2909946507","https://openalex.org/W2910296794","https://openalex.org/W2914511532","https://openalex.org/W2914788418","https://openalex.org/W2944348498","https://openalex.org/W3000068157","https://openalex.org/W3011347515","https://openalex.org/W3014257214","https://openalex.org/W4251060612","https://openalex.org/W6600414615"],"related_works":["https://openalex.org/W1987076842","https://openalex.org/W3173625495","https://openalex.org/W7128437143","https://openalex.org/W3092064675","https://openalex.org/W2567301429","https://openalex.org/W2060011918","https://openalex.org/W4309077429","https://openalex.org/W2809465120","https://openalex.org/W1969857353","https://openalex.org/W3197752076"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2}],"updated_date":"2026-10-13T10:08:12.033832","created_date":"2022-06-24T00:00:00"}
