{"id":"https://openalex.org/W2022354009","doi":"https://doi.org/10.1007/s10822-010-9328-6","title":"Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies","display_name":"Conformational landscape of platinum(II)-tetraamine complexes: DFT and NBO studies","publication_year":2010,"publication_date":"2010-03-01","ids":{"openalex":"https://openalex.org/W2022354009","doi":"https://doi.org/10.1007/s10822-010-9328-6","mag":"2022354009","pmid":"https://pubmed.ncbi.nlm.nih.gov/20333441"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-010-9328-6","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-010-9328-6","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"Journal of Computer-Aided Molecular Design","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/A5048145359","display_name":"Austin B. Yongye","orcid":null},"institutions":[{"id":"https://openalex.org/I40399489","display_name":"Torrey Pines Institute For Molecular Studies","ror":"https://ror.org/01grq2104","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I40399489"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Austin B. Yongye","raw_affiliation_strings":["Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, FL 34987, USA","Torrey Pines Institute for Molecular Studies"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, FL 34987, USA","institution_ids":["https://openalex.org/I40399489"]},{"raw_affiliation_string":"Torrey Pines Institute for Molecular Studies","institution_ids":["https://openalex.org/I40399489"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005431998","display_name":"Marc A. Giulianotti","orcid":"https://orcid.org/0000-0002-2232-3789"},"institutions":[{"id":"https://openalex.org/I40399489","display_name":"Torrey Pines Institute For Molecular Studies","ror":"https://ror.org/01grq2104","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I40399489"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Marc A. Giulianotti","raw_affiliation_strings":["Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, FL, 34987, USA","Torrey Pines Institute for Molecular Studies"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, FL, 34987, USA","institution_ids":["https://openalex.org/I40399489"]},{"raw_affiliation_string":"Torrey Pines Institute for Molecular Studies","institution_ids":["https://openalex.org/I40399489"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5055946282","display_name":"Adel Nefzi","orcid":"https://orcid.org/0000-0003-0155-5887"},"institutions":[{"id":"https://openalex.org/I40399489","display_name":"Torrey Pines Institute For Molecular Studies","ror":"https://ror.org/01grq2104","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I40399489"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Adel Nefzi","raw_affiliation_strings":["Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, FL, 34987, USA","Torrey Pines Institute for Molecular Studies"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, FL, 34987, USA","institution_ids":["https://openalex.org/I40399489"]},{"raw_affiliation_string":"Torrey Pines Institute for Molecular Studies","institution_ids":["https://openalex.org/I40399489"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047419813","display_name":"Richard A. Houghten","orcid":"https://orcid.org/0000-0003-0310-4879"},"institutions":[{"id":"https://openalex.org/I40399489","display_name":"Torrey Pines Institute For Molecular Studies","ror":"https://ror.org/01grq2104","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I40399489"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Richard A. Houghten","raw_affiliation_strings":["Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, FL, 34987, USA","Torrey Pines Institute for Molecular Studies"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, FL, 34987, USA","institution_ids":["https://openalex.org/I40399489"]},{"raw_affiliation_string":"Torrey Pines Institute for Molecular Studies","institution_ids":["https://openalex.org/I40399489"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5057869875","display_name":"Karina Mart\u00ednez\u2010Mayorga","orcid":"https://orcid.org/0000-0002-6974-7941"},"institutions":[{"id":"https://openalex.org/I40399489","display_name":"Torrey Pines Institute For Molecular Studies","ror":"https://ror.org/01grq2104","country_code":"US","type":"nonprofit","lineage":["https://openalex.org/I40399489"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Karina Mart\u00ednez-Mayorga","raw_affiliation_strings":["Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, FL, 34987, USA","Torrey Pines Institute for Molecular Studies"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Torrey Pines Institute for Molecular Studies, 11350 SW Village Parkway, Port St. Lucie, FL, 34987, USA","institution_ids":["https://openalex.org/I40399489"]},{"raw_affiliation_string":"Torrey Pines Institute for Molecular Studies","institution_ids":["https://openalex.org/I40399489"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5057869875"],"corresponding_institution_ids":["https://openalex.org/I40399489"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":0.5482,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.6550709,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"24","issue":"3","first_page":"225","last_page":"235"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10163","display_name":"Metal complexes synthesis and properties","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10163","display_name":"Metal complexes synthesis and properties","score":0.9998999834060669,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10092","display_name":"Organometallic Complex Synthesis and Catalysis","score":0.9994999766349792,"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/T10612","display_name":"Magnetism in coordination complexes","score":0.9994999766349792,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/natural-bond-orbital","display_name":"Natural bond orbital","score":0.8468202352523804},{"id":"https://openalex.org/keywords/platinum","display_name":"Platinum","score":0.7065053582191467},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.41880252957344055},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.2719005048274994},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"Density functional theory","score":0.13587698340415955},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.0907973051071167}],"concepts":[{"id":"https://openalex.org/C130188946","wikidata":"https://www.wikidata.org/wiki/Q4391470","display_name":"Natural bond orbital","level":3,"score":0.8468202352523804},{"id":"https://openalex.org/C518104683","wikidata":"https://www.wikidata.org/wiki/Q880","display_name":"Platinum","level":3,"score":0.7065053582191467},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.41880252957344055},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2719005048274994},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.13587698340415955},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0907973051071167},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008956","descriptor_name":"Models, Chemical","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011789","descriptor_name":"Quantum Theory","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017671","descriptor_name":"Platinum Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017671","descriptor_name":"Platinum Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017671","descriptor_name":"Platinum Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017672","descriptor_name":"Nitrogen Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017672","descriptor_name":"Nitrogen Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D017672","descriptor_name":"Nitrogen Compounds","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056831","descriptor_name":"Coordination Complexes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056831","descriptor_name":"Coordination Complexes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D056831","descriptor_name":"Coordination Complexes","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-010-9328-6","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-010-9328-6","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:20333441","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/20333441","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":"Journal of computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.8899999856948853}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":37,"referenced_works":["https://openalex.org/W78319162","https://openalex.org/W1549965663","https://openalex.org/W1966182479","https://openalex.org/W1976848113","https://openalex.org/W1980411311","https://openalex.org/W1983945804","https://openalex.org/W1985578628","https://openalex.org/W1993133483","https://openalex.org/W2006632173","https://openalex.org/W2008179539","https://openalex.org/W2014590105","https://openalex.org/W2024844244","https://openalex.org/W2025293912","https://openalex.org/W2036599330","https://openalex.org/W2044490585","https://openalex.org/W2051137721","https://openalex.org/W2052857078","https://openalex.org/W2054752559","https://openalex.org/W2055147368","https://openalex.org/W2066011338","https://openalex.org/W2067610281","https://openalex.org/W2068617439","https://openalex.org/W2072961231","https://openalex.org/W2077467665","https://openalex.org/W2082126394","https://openalex.org/W2089090881","https://openalex.org/W2089595455","https://openalex.org/W2090746469","https://openalex.org/W2090887416","https://openalex.org/W2101164896","https://openalex.org/W2101958986","https://openalex.org/W2109415161","https://openalex.org/W2122023026","https://openalex.org/W2127431843","https://openalex.org/W2165387356","https://openalex.org/W2215774366","https://openalex.org/W2949427142"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487","https://openalex.org/W1986764834","https://openalex.org/W657579294"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":2},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":2}],"updated_date":"2026-07-23T08:03:31.855105","created_date":"2025-10-10T00:00:00"}