{"id":"https://openalex.org/W2023464133","doi":"https://doi.org/10.1021/ci9604652","title":"An Efficient Method of Determining Diffusion Coefficients Using Eigenfunction Expansions","display_name":"An Efficient Method of Determining Diffusion Coefficients Using Eigenfunction Expansions","publication_year":1997,"publication_date":"1997-03-01","ids":{"openalex":"https://openalex.org/W2023464133","doi":"https://doi.org/10.1021/ci9604652","mag":"2023464133"},"language":"en","primary_location":{"id":"doi:10.1021/ci9604652","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9604652","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","raw_type":"journal-article"},"type":"article","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/A5082265290","display_name":"K. Yip","orcid":"https://orcid.org/0000-0002-8576-4311"},"institutions":[{"id":"https://openalex.org/I40120149","display_name":"University of Oxford","ror":"https://ror.org/052gg0110","country_code":"GB","type":"education","lineage":["https://openalex.org/I40120149"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"K. Yip","raw_affiliation_strings":["Nuclear and Astrophysics Laboratory, University of Oxford, Keble Road, Oxford OX1 3RH, United Kingdom"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Nuclear and Astrophysics Laboratory, University of Oxford, Keble Road, Oxford OX1 3RH, United Kingdom","institution_ids":["https://openalex.org/I40120149"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061680277","display_name":"Kin Yip Tam","orcid":"https://orcid.org/0000-0001-5507-8524"},"institutions":[{"id":"https://openalex.org/I40120149","display_name":"University of Oxford","ror":"https://ror.org/052gg0110","country_code":"GB","type":"education","lineage":["https://openalex.org/I40120149"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"K. Y. Tam","raw_affiliation_strings":["Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom","institution_ids":["https://openalex.org/I40120149"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5080468416","display_name":"Ka Fai Cedric Yiu","orcid":"https://orcid.org/0000-0002-7523-4069"},"institutions":[{"id":"https://openalex.org/I40120149","display_name":"University of Oxford","ror":"https://ror.org/052gg0110","country_code":"GB","type":"education","lineage":["https://openalex.org/I40120149"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"K. F. C. Yiu","raw_affiliation_strings":["Oxford University Computing Laboratory, Wolfson Building, Parks Road, Oxford OX1 3QD, United Kingdom"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Oxford University Computing Laboratory, Wolfson Building, Parks Road, Oxford OX1 3QD, United Kingdom","institution_ids":["https://openalex.org/I40120149"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5082265290"],"corresponding_institution_ids":["https://openalex.org/I40120149"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.0927479,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"37","issue":"2","first_page":"367","last_page":"371"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11434","display_name":"Electrochemical Analysis and Applications","score":0.9976000189781189,"subfield":{"id":"https://openalex.org/subfields/1603","display_name":"Electrochemistry"},"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/T11434","display_name":"Electrochemical Analysis and Applications","score":0.9976000189781189,"subfield":{"id":"https://openalex.org/subfields/1603","display_name":"Electrochemistry"},"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/T11472","display_name":"Analytical Chemistry and Sensors","score":0.9909999966621399,"subfield":{"id":"https://openalex.org/subfields/1502","display_name":"Bioengineering"},"field":{"id":"https://openalex.org/fields/15","display_name":"Chemical Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10913","display_name":"Molecular Junctions and Nanostructures","score":0.9883999824523926,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/eigenfunction","display_name":"Eigenfunction","score":0.9469053745269775},{"id":"https://openalex.org/keywords/diffusion","display_name":"Diffusion","score":0.7341986298561096},{"id":"https://openalex.org/keywords/code","display_name":"Code (set theory)","score":0.6344798803329468},{"id":"https://openalex.org/keywords/diffusion-equation","display_name":"Diffusion equation","score":0.5643287301063538},{"id":"https://openalex.org/keywords/diffusion-process","display_name":"Diffusion process","score":0.5110405683517456},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.45503708720207214},{"id":"https://openalex.org/keywords/applied-mathematics","display_name":"Applied mathematics","score":0.4520093500614166},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.4472297132015228},{"id":"https://openalex.org/keywords/finite-difference-method","display_name":"Finite difference method","score":0.4437037706375122},{"id":"https://openalex.org/keywords/electron","display_name":"Electron","score":0.4192471504211426},{"id":"https://openalex.org/keywords/eigenvalues-and-eigenvectors","display_name":"Eigenvalues and eigenvectors","score":0.3269449472427368},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.32638823986053467},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3217329978942871},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.28809845447540283},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.273786723613739},{"id":"https://openalex.org/keywords/thermodynamics","display_name":"Thermodynamics","score":0.20178693532943726},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.13244298100471497}],"concepts":[{"id":"https://openalex.org/C128803854","wikidata":"https://www.wikidata.org/wiki/Q1307821","display_name":"Eigenfunction","level":3,"score":0.9469053745269775},{"id":"https://openalex.org/C69357855","wikidata":"https://www.wikidata.org/wiki/Q163214","display_name":"Diffusion","level":2,"score":0.7341986298561096},{"id":"https://openalex.org/C2776760102","wikidata":"https://www.wikidata.org/wiki/Q5139990","display_name":"Code (set theory)","level":3,"score":0.6344798803329468},{"id":"https://openalex.org/C571446","wikidata":"https://www.wikidata.org/wiki/Q6510183","display_name":"Diffusion equation","level":3,"score":0.5643287301063538},{"id":"https://openalex.org/C68710425","wikidata":"https://www.wikidata.org/wiki/Q5275442","display_name":"Diffusion process","level":3,"score":0.5110405683517456},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.45503708720207214},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.4520093500614166},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.4472297132015228},{"id":"https://openalex.org/C205951836","wikidata":"https://www.wikidata.org/wiki/Q1147751","display_name":"Finite difference method","level":2,"score":0.4437037706375122},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.4192471504211426},{"id":"https://openalex.org/C158693339","wikidata":"https://www.wikidata.org/wiki/Q190524","display_name":"Eigenvalues and eigenvectors","level":2,"score":0.3269449472427368},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.32638823986053467},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3217329978942871},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.28809845447540283},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.273786723613739},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.20178693532943726},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.13244298100471497},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C3017618536","wikidata":"https://www.wikidata.org/wiki/Q304994","display_name":"Innovation diffusion","level":2,"score":0.0},{"id":"https://openalex.org/C2780378061","wikidata":"https://www.wikidata.org/wiki/Q25351891","display_name":"Service (business)","level":2,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.0},{"id":"https://openalex.org/C136264566","wikidata":"https://www.wikidata.org/wiki/Q159810","display_name":"Economy","level":1,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C56739046","wikidata":"https://www.wikidata.org/wiki/Q192060","display_name":"Knowledge management","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci9604652","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9604652","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Computer Sciences","raw_type":"journal-article"},{"id":"pmh:oai:CiteSeerX.psu:10.1.1.105.6879","is_oa":false,"landing_page_url":"http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.105.6879","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"http://www.phy.bnl.gov/~kinyip/yip_tam_yiu.pdf","raw_type":"text"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/15","score":0.5099999904632568,"display_name":"Life in Land"}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":12,"referenced_works":["https://openalex.org/W395946009","https://openalex.org/W579681346","https://openalex.org/W651663772","https://openalex.org/W2023903607","https://openalex.org/W2032468262","https://openalex.org/W2041671444","https://openalex.org/W2077658674","https://openalex.org/W2158315122","https://openalex.org/W2798562966","https://openalex.org/W2922066706","https://openalex.org/W4212997115","https://openalex.org/W4246753350"],"related_works":["https://openalex.org/W2014800978","https://openalex.org/W1969730698","https://openalex.org/W1552276833","https://openalex.org/W2132583619","https://openalex.org/W1995228206","https://openalex.org/W3106362747","https://openalex.org/W2093822129","https://openalex.org/W3160358654","https://openalex.org/W2013379693","https://openalex.org/W2372801173"],"abstract_inverted_index":{"A":[0],"method":[1,17,43,76],"using":[2],"eigenfunction":[3],"expansions":[4],"has":[5,18],"been":[6,19],"implemented":[7],"to":[8,22],"determine":[9],"the":[10,23,42,50,63,75],"diffusion":[11],"coefficients":[12],"of":[13,25,28,79],"electroactive":[14],"species.":[15],"The":[16,38,67],"successfully":[20],"applied":[21],"process":[24],"single-electron":[26],"oxidation":[27],"N,":[29,30],"N":[31,33],"\u2018,":[32],"\u2018-tetramethyl-":[34],"p":[35],"-phenylenediamine":[36],"(TMPD).":[37],"results":[39],"obtained":[40],"by":[41],"agree":[44],"very":[45],"well":[46,51],"with":[47],"those":[48],"from":[49],"established":[52],"finite":[53],"difference":[54],"algorithm":[55],"and":[56,73],"are":[57],"more":[58],"reliable":[59],"in":[60],"general":[61],"than":[62],"conventional":[64],"Levich":[65],"equation.":[66],"computer":[68],"code":[69],"developed":[70],"is":[71],"versatile":[72],"efficient;":[74],"could":[77],"be":[78],"wide":[80],"application.":[81]},"counts_by_year":[{"year":2020,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-08-26T07:47:46.906454","created_date":"2025-10-10T00:00:00"}
