{"id":"https://openalex.org/W2051016827","doi":"https://doi.org/10.1016/s0097-8485(99)00071-6","title":"Density functional MO calculation for stacked DNA base-pairs with backbones","display_name":"Density functional MO calculation for stacked DNA base-pairs with backbones","publication_year":2000,"publication_date":"2000-05-01","ids":{"openalex":"https://openalex.org/W2051016827","doi":"https://doi.org/10.1016/s0097-8485(99)00071-6","mag":"2051016827","pmid":"https://pubmed.ncbi.nlm.nih.gov/10816005"},"language":"en","primary_location":{"id":"doi:10.1016/s0097-8485(99)00071-6","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(99)00071-6","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemistry","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5055253969","display_name":"Noriyuki Kurita","orcid":"https://orcid.org/0000-0001-8819-1929"},"institutions":[{"id":"https://openalex.org/I136259955","display_name":"Toyohashi University of Technology","ror":"https://ror.org/04ezg6d83","country_code":"JP","type":"education","lineage":["https://openalex.org/I136259955"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Noriyuki Kurita","raw_affiliation_strings":["Department of Knowledge-Based Information Engineering, Toyohashi University of Technology, Japan. kurita@cochem2.tutkie.tut.ac.jp","Department of Knowledge-Based Information Engineering, Toyohashi University of Technology, Japan#TAB#"],"affiliations":[{"raw_affiliation_string":"Department of Knowledge-Based Information Engineering, Toyohashi University of Technology, Japan. kurita@cochem2.tutkie.tut.ac.jp","institution_ids":["https://openalex.org/I136259955"]},{"raw_affiliation_string":"Department of Knowledge-Based Information Engineering, Toyohashi University of Technology, Japan#TAB#","institution_ids":["https://openalex.org/I136259955"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5111777785","display_name":"Kinya Kobayashi","orcid":null},"institutions":[{"id":"https://openalex.org/I65143321","display_name":"Hitachi (Japan)","ror":"https://ror.org/02exqgm79","country_code":"JP","type":"company","lineage":["https://openalex.org/I65143321"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Kinya Kobayashi","raw_affiliation_strings":["Hitachi Research Laboratory Hitachi Ltd Omika-cho, Hitachi, 319-1292, Japan"],"affiliations":[{"raw_affiliation_string":"Hitachi Research Laboratory Hitachi Ltd Omika-cho, Hitachi, 319-1292, Japan","institution_ids":["https://openalex.org/I65143321"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5055253969"],"corresponding_institution_ids":["https://openalex.org/I136259955"],"apc_list":null,"apc_paid":null,"fwci":1.7055,"has_fulltext":false,"cited_by_count":125,"citation_normalized_percentile":{"value":0.83895638,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"24","issue":"3-4","first_page":"351","last_page":"357"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10432","display_name":"DNA and Nucleic Acid Chemistry","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10432","display_name":"DNA and Nucleic Acid Chemistry","score":1.0,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11298","display_name":"Synthesis and Properties of Aromatic Compounds","score":0.9990000128746033,"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/T12191","display_name":"Chemical Reaction Mechanisms","score":0.9983999729156494,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.6293880343437195},{"id":"https://openalex.org/keywords/base-pair","display_name":"Base pair","score":0.6157349348068237},{"id":"https://openalex.org/keywords/nucleobase","display_name":"Nucleobase","score":0.5943928360939026},{"id":"https://openalex.org/keywords/dna","display_name":"DNA","score":0.5820069313049316},{"id":"https://openalex.org/keywords/ab-initio","display_name":"Ab initio","score":0.5637013912200928},{"id":"https://openalex.org/keywords/dimer","display_name":"Dimer","score":0.5630269646644592},{"id":"https://openalex.org/keywords/basis-set","display_name":"Basis set","score":0.5581468343734741},{"id":"https://openalex.org/keywords/base","display_name":"Base (topology)","score":0.5534114837646484},{"id":"https://openalex.org/keywords/guanine","display_name":"Guanine","score":0.5427293181419373},{"id":"https://openalex.org/keywords/cytosine","display_name":"Cytosine","score":0.5170684456825256},{"id":"https://openalex.org/keywords/chemical-stability","display_name":"Chemical stability","score":0.5134111642837524},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4788501262664795},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.4745924174785614},{"id":"https://openalex.org/keywords/crystallography","display_name":"Crystallography","score":0.45478948950767517},{"id":"https://openalex.org/keywords/chemical-physics","display_name":"Chemical physics","score":0.45223376154899597},{"id":"https://openalex.org/keywords/molecular-orbital","display_name":"Molecular orbital","score":0.4474475681781769},{"id":"https://openalex.org/keywords/electronic-structure","display_name":"Electronic structure","score":0.4328114688396454},{"id":"https://openalex.org/keywords/cluster","display_name":"Cluster (spacecraft)","score":0.4192081093788147},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.3971899151802063},{"id":"https://openalex.org/keywords/nucleotide","display_name":"Nucleotide","score":0.1861080527305603},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.09643003344535828},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.09178468585014343}],"concepts":[{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.6293880343437195},{"id":"https://openalex.org/C185581394","wikidata":"https://www.wikidata.org/wiki/Q145911","display_name":"Base pair","level":3,"score":0.6157349348068237},{"id":"https://openalex.org/C61234307","wikidata":"https://www.wikidata.org/wiki/Q422960","display_name":"Nucleobase","level":3,"score":0.5943928360939026},{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.5820069313049316},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5637013912200928},{"id":"https://openalex.org/C2779546866","wikidata":"https://www.wikidata.org/wiki/Q531306","display_name":"Dimer","level":2,"score":0.5630269646644592},{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"score":0.5581468343734741},{"id":"https://openalex.org/C42058472","wikidata":"https://www.wikidata.org/wiki/Q810214","display_name":"Base (topology)","level":2,"score":0.5534114837646484},{"id":"https://openalex.org/C2778301229","wikidata":"https://www.wikidata.org/wiki/Q169313","display_name":"Guanine","level":4,"score":0.5427293181419373},{"id":"https://openalex.org/C2776023528","wikidata":"https://www.wikidata.org/wiki/Q178425","display_name":"Cytosine","level":3,"score":0.5170684456825256},{"id":"https://openalex.org/C186399102","wikidata":"https://www.wikidata.org/wiki/Q903517","display_name":"Chemical stability","level":2,"score":0.5134111642837524},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4788501262664795},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4745924174785614},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.45478948950767517},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.45223376154899597},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.4474475681781769},{"id":"https://openalex.org/C86025842","wikidata":"https://www.wikidata.org/wiki/Q5358432","display_name":"Electronic structure","level":2,"score":0.4328114688396454},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.4192081093788147},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.3971899151802063},{"id":"https://openalex.org/C512185932","wikidata":"https://www.wikidata.org/wiki/Q28745","display_name":"Nucleotide","level":3,"score":0.1861080527305603},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.09643003344535828},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.09178468585014343},{"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/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004247","descriptor_name":"DNA","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004583","descriptor_name":"Electrons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004583","descriptor_name":"Electrons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004583","descriptor_name":"Electrons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010710","descriptor_name":"Phosphates","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010710","descriptor_name":"Phosphates","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D010710","descriptor_name":"Phosphates","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020029","descriptor_name":"Base Pairing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020029","descriptor_name":"Base Pairing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020029","descriptor_name":"Base Pairing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1016/s0097-8485(99)00071-6","is_oa":false,"landing_page_url":"https://doi.org/10.1016/s0097-8485(99)00071-6","pdf_url":null,"source":{"id":"https://openalex.org/S4210194753","display_name":"Computers & Chemistry","issn_l":"0097-8485","issn":["0097-8485","1879-0763"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320146","host_organization_name":"Pergamon Press","host_organization_lineage":["https://openalex.org/P4310320146"],"host_organization_lineage_names":["Pergamon Press"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & Chemistry","raw_type":"journal-article"},{"id":"pmid:10816005","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/10816005","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"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":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Computers & chemistry","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.800000011920929,"id":"https://metadata.un.org/sdg/7","display_name":"Affordable and clean energy"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":25,"referenced_works":["https://openalex.org/W1976099809","https://openalex.org/W1976508874","https://openalex.org/W1985583109","https://openalex.org/W2002747606","https://openalex.org/W2015904946","https://openalex.org/W2029099265","https://openalex.org/W2030976617","https://openalex.org/W2042860236","https://openalex.org/W2043397641","https://openalex.org/W2046930718","https://openalex.org/W2052637367","https://openalex.org/W2052702580","https://openalex.org/W2055230539","https://openalex.org/W2072338281","https://openalex.org/W2072536904","https://openalex.org/W2073380384","https://openalex.org/W2075218794","https://openalex.org/W2085134918","https://openalex.org/W2090135568","https://openalex.org/W2092822318","https://openalex.org/W2115467966","https://openalex.org/W2118182767","https://openalex.org/W2123195204","https://openalex.org/W2230728100","https://openalex.org/W3042084816"],"related_works":["https://openalex.org/W2134062899","https://openalex.org/W2083348287","https://openalex.org/W2467743724","https://openalex.org/W2168044784","https://openalex.org/W2168580805","https://openalex.org/W2154881715","https://openalex.org/W2067845378","https://openalex.org/W2106461073","https://openalex.org/W1993830661","https://openalex.org/W2318912731"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":5},{"year":2017,"cited_by_count":3},{"year":2016,"cited_by_count":5},{"year":2015,"cited_by_count":7},{"year":2014,"cited_by_count":6},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":5}],"updated_date":"2026-01-13T01:12:25.745995","created_date":"2025-10-10T00:00:00"}