{"id":"https://openalex.org/W2141586563","doi":"https://doi.org/10.1002/(sici)1096-987x(199812)19:16<1805::aid-jcc2>3.0.co;2-p","title":"New approach for representation of molecular surface","display_name":"New approach for representation of molecular surface","publication_year":1998,"publication_date":"1998-12-01","ids":{"openalex":"https://openalex.org/W2141586563","doi":"https://doi.org/10.1002/(sici)1096-987x(199812)19:16<1805::aid-jcc2>3.0.co;2-p","mag":"2141586563"},"language":"en","primary_location":{"id":"doi:10.1002/(sici)1096-987x(199812)19:16<1805::aid-jcc2>3.0.co;2-p","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199812)19:16<1805::aid-jcc2>3.0.co;2-p","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","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/A5010656224","display_name":"Wensheng Cai","orcid":"https://orcid.org/0000-0002-6457-7058"},"institutions":[{"id":"https://openalex.org/I90183372","display_name":"Universit\u00e9 de Lorraine","ror":"https://ror.org/04vfs2w97","country_code":"FR","type":"education","lineage":["https://openalex.org/I90183372"]},{"id":"https://openalex.org/I4210098902","display_name":"Laboratoire de Chimie Th\u00e9orique","ror":"https://ror.org/00tmb7y09","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I39804081","https://openalex.org/I4210098902","https://openalex.org/I4210128300"]},{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN","FR"],"is_corresponding":false,"raw_author_name":"Wensheng Cai","raw_affiliation_strings":["Department of Applied Chemistry, University of Science and Technology of China, Hefei, Anhui, China","Laboratoire de Chimie Theorique, Universite\u0301 Henri Poincare\u0301 Nancy I BP 239, 54506 Vandoeuvre-le\u0300s-Nancy, France","Laboratoire de Chimie Theorique, Universit\u00e9 Henri Poincar\u00e9 Nancy I BP 239, 54506 Vandoeuvre\u2010l\u00e8s\u2010Nancy, France"],"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, University of Science and Technology of China, Hefei, Anhui, China","institution_ids":["https://openalex.org/I126520041"]},{"raw_affiliation_string":"Laboratoire de Chimie Theorique, Universite\u0301 Henri Poincare\u0301 Nancy I BP 239, 54506 Vandoeuvre-le\u0300s-Nancy, France","institution_ids":["https://openalex.org/I90183372","https://openalex.org/I4210098902"]},{"raw_affiliation_string":"Laboratoire de Chimie Theorique, Universit\u00e9 Henri Poincar\u00e9 Nancy I BP 239, 54506 Vandoeuvre\u2010l\u00e8s\u2010Nancy, France","institution_ids":["https://openalex.org/I90183372"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102754125","display_name":"Maosen Zhang","orcid":"https://orcid.org/0000-0002-7859-502X"},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Maosen Zhang","raw_affiliation_strings":["Department of Applied Chemistry, University of Science and Technology of China, Hefei, Anhui, China","Department of Applied Chemistry, University of Science and Technology of China, Hefei, Anhui, CHINA"],"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, University of Science and Technology of China, Hefei, Anhui, China","institution_ids":["https://openalex.org/I126520041"]},{"raw_affiliation_string":"Department of Applied Chemistry, University of Science and Technology of China, Hefei, Anhui, CHINA","institution_ids":["https://openalex.org/I126520041"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5105989976","display_name":"Bernard Maigret","orcid":null},"institutions":[{"id":"https://openalex.org/I4210098902","display_name":"Laboratoire de Chimie Th\u00e9orique","ror":"https://ror.org/00tmb7y09","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I1294671590","https://openalex.org/I39804081","https://openalex.org/I4210098902","https://openalex.org/I4210128300"]},{"id":"https://openalex.org/I90183372","display_name":"Universit\u00e9 de Lorraine","ror":"https://ror.org/04vfs2w97","country_code":"FR","type":"education","lineage":["https://openalex.org/I90183372"]}],"countries":["FR"],"is_corresponding":true,"raw_author_name":"Bernard Maigret","raw_affiliation_strings":["Laboratoire de Chimie Theorique, Universite\u0301 Henri Poincare\u0301 Nancy I BP 239, 54506 Vandoeuvre-le\u0300s-Nancy, France","Laboratoire de Chimie Theorique, Universit\u00e9 Henri Poincar\u00e9 Nancy I BP 239, 54506 Vandoeuvre\u2010l\u00e8s\u2010Nancy, France"],"affiliations":[{"raw_affiliation_string":"Laboratoire de Chimie Theorique, Universite\u0301 Henri Poincare\u0301 Nancy I BP 239, 54506 Vandoeuvre-le\u0300s-Nancy, France","institution_ids":["https://openalex.org/I90183372","https://openalex.org/I4210098902"]},{"raw_affiliation_string":"Laboratoire de Chimie Theorique, Universit\u00e9 Henri Poincar\u00e9 Nancy I BP 239, 54506 Vandoeuvre\u2010l\u00e8s\u2010Nancy, France","institution_ids":["https://openalex.org/I90183372"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5105989976"],"corresponding_institution_ids":["https://openalex.org/I4210098902","https://openalex.org/I90183372"],"apc_list":{"value":4840,"currency":"USD","value_usd":4840},"apc_paid":null,"fwci":0.4046,"has_fulltext":false,"cited_by_count":18,"citation_normalized_percentile":{"value":0.69513458,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"19","issue":"16","first_page":"1805","last_page":"1815"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10996","display_name":"Computational Geometry and Mesh Generation","score":0.995199978351593,"subfield":{"id":"https://openalex.org/subfields/1704","display_name":"Computer Graphics and Computer-Aided Design"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10996","display_name":"Computational Geometry and Mesh Generation","score":0.995199978351593,"subfield":{"id":"https://openalex.org/subfields/1704","display_name":"Computer Graphics and Computer-Aided Design"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10792","display_name":"Matrix Theory and Algorithms","score":0.989799976348877,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10339","display_name":"Advanced Numerical Methods in Computational Mathematics","score":0.9897000193595886,"subfield":{"id":"https://openalex.org/subfields/2206","display_name":"Computational Mechanics"},"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/quadrilateral","display_name":"Quadrilateral","score":0.8226025104522705},{"id":"https://openalex.org/keywords/surface","display_name":"Surface (topology)","score":0.7229720950126648},{"id":"https://openalex.org/keywords/ellipsoid","display_name":"Ellipsoid","score":0.6948533058166504},{"id":"https://openalex.org/keywords/vertex","display_name":"Vertex (graph theory)","score":0.6584271192550659},{"id":"https://openalex.org/keywords/triangulation","display_name":"Triangulation","score":0.5099169015884399},{"id":"https://openalex.org/keywords/spherical-harmonics","display_name":"Spherical harmonics","score":0.49040913581848145},{"id":"https://openalex.org/keywords/triangle-mesh","display_name":"Triangle mesh","score":0.48008066415786743},{"id":"https://openalex.org/keywords/polygon-mesh","display_name":"Polygon mesh","score":0.45570454001426697},{"id":"https://openalex.org/keywords/point","display_name":"Point (geometry)","score":0.4383885860443115},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.38958418369293213},{"id":"https://openalex.org/keywords/geometry","display_name":"Geometry","score":0.3883223831653595},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.3123966455459595},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.3006918430328369},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.2943556308746338},{"id":"https://openalex.org/keywords/finite-element-method","display_name":"Finite element method","score":0.10308945178985596}],"concepts":[{"id":"https://openalex.org/C151756577","wikidata":"https://www.wikidata.org/wiki/Q36810","display_name":"Quadrilateral","level":3,"score":0.8226025104522705},{"id":"https://openalex.org/C2776799497","wikidata":"https://www.wikidata.org/wiki/Q484298","display_name":"Surface (topology)","level":2,"score":0.7229720950126648},{"id":"https://openalex.org/C57489055","wikidata":"https://www.wikidata.org/wiki/Q190046","display_name":"Ellipsoid","level":2,"score":0.6948533058166504},{"id":"https://openalex.org/C80899671","wikidata":"https://www.wikidata.org/wiki/Q1304193","display_name":"Vertex (graph theory)","level":3,"score":0.6584271192550659},{"id":"https://openalex.org/C135981907","wikidata":"https://www.wikidata.org/wiki/Q188056","display_name":"Triangulation","level":2,"score":0.5099169015884399},{"id":"https://openalex.org/C3768446","wikidata":"https://www.wikidata.org/wiki/Q877100","display_name":"Spherical harmonics","level":2,"score":0.49040913581848145},{"id":"https://openalex.org/C194401833","wikidata":"https://www.wikidata.org/wiki/Q3456889","display_name":"Triangle mesh","level":3,"score":0.48008066415786743},{"id":"https://openalex.org/C31487907","wikidata":"https://www.wikidata.org/wiki/Q1154597","display_name":"Polygon mesh","level":2,"score":0.45570454001426697},{"id":"https://openalex.org/C28719098","wikidata":"https://www.wikidata.org/wiki/Q44946","display_name":"Point (geometry)","level":2,"score":0.4383885860443115},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.38958418369293213},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.3883223831653595},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.3123966455459595},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3006918430328369},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.2943556308746338},{"id":"https://openalex.org/C135628077","wikidata":"https://www.wikidata.org/wiki/Q220184","display_name":"Finite element method","level":2,"score":0.10308945178985596},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.0},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/(sici)1096-987x(199812)19:16<1805::aid-jcc2>3.0.co;2-p","is_oa":false,"landing_page_url":"https://doi.org/10.1002/(sici)1096-987x(199812)19:16<1805::aid-jcc2>3.0.co;2-p","pdf_url":null,"source":{"id":"https://openalex.org/S21117631","display_name":"Journal of Computational Chemistry","issn_l":"0192-8651","issn":["0192-8651","1096-987X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computational Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Sustainable cities and communities","id":"https://metadata.un.org/sdg/11","score":0.5299999713897705}],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W1526508674","https://openalex.org/W1967953371","https://openalex.org/W1981979936","https://openalex.org/W1985204165","https://openalex.org/W1988613096","https://openalex.org/W1991383804","https://openalex.org/W1999724806","https://openalex.org/W2000383223","https://openalex.org/W2004360551","https://openalex.org/W2005651680","https://openalex.org/W2011510078","https://openalex.org/W2017371008","https://openalex.org/W2021411698","https://openalex.org/W2027640169","https://openalex.org/W2027978582","https://openalex.org/W2037603210","https://openalex.org/W2039460852","https://openalex.org/W2040804024","https://openalex.org/W2044010751","https://openalex.org/W2056034415","https://openalex.org/W2062398111","https://openalex.org/W2063831812","https://openalex.org/W2068265376","https://openalex.org/W2071704671","https://openalex.org/W2073082810","https://openalex.org/W2074325732","https://openalex.org/W2076071607","https://openalex.org/W2076394025","https://openalex.org/W2077245038","https://openalex.org/W2078598312","https://openalex.org/W2081270303","https://openalex.org/W2095841883","https://openalex.org/W2098615689","https://openalex.org/W2108508060","https://openalex.org/W2109575498","https://openalex.org/W2132456736","https://openalex.org/W2133543883","https://openalex.org/W2148327043","https://openalex.org/W2161288709","https://openalex.org/W2163888369","https://openalex.org/W2177731497","https://openalex.org/W3021550876","https://openalex.org/W4293003482"],"related_works":["https://openalex.org/W2042029918","https://openalex.org/W2079790633","https://openalex.org/W2045999312","https://openalex.org/W2364202563","https://openalex.org/W2148279835","https://openalex.org/W2041553226","https://openalex.org/W846467522","https://openalex.org/W2003092502","https://openalex.org/W2388233727","https://openalex.org/W54272884"],"abstract_inverted_index":{"A":[0],"new":[1],"algorithm":[2],"is":[3,29,45,70],"proposed":[4],"for":[5],"approximation":[6],"to":[7,48,79,130,146],"the":[8,22,42,49,56,59,73,80,89,92,98,101,105,112,132,136,140,148],"molecular":[9,24,133,149],"surface.":[10,25,84,134],"It":[11],"starts":[12,115],"with":[13,36,116],"a":[14,68,117],"triangular":[15,27],"mesh":[16,28,119],"built":[17,120],"on":[18,126],"an":[19,32,127],"ellipsoid":[20,95],"embracing":[21,43,83,94,128],"whole":[23],"The":[26,61],"obtained":[30,103,138],"from":[31,121],"icosahedron":[33],"subdivision":[34],"sphere":[35,129],"highly":[37],"uniform":[38],"vertex":[39,66],"distribution,":[40],"and":[41,97,109,123],"surface":[44,57,102,137,150],"deflated":[46,82],"stepwise":[47],"best":[50],"adherence":[51],"of":[52,58,64,67,91,100],"its":[53],"triangles":[54],"onto":[55],"molecule.":[60],"deflating":[62],"direction":[63],"each":[65],"triangle":[69],"defined":[71],"by":[72,104,139,151],"vector":[74],"normal":[75],"at":[76],"this":[77],"point":[78],"previous":[81],"Our":[85],"results":[86],"show":[87],"that":[88,114],"speed":[90],"triangulation":[93],"method":[96,106,113,141],"quality":[99],"are":[107],"faster":[108],"better":[110],"than":[111],"quadrilateral":[118],"meridian":[122],"parallel":[124],"representations":[125],"get":[131],"Furthermore,":[135],"can":[142],"be":[143],"used":[144],"directly":[145],"approximate":[147],"spherical":[152],"harmonic":[153],"expansions.":[154],"\u00a9":[155],"1998":[156,167],"John":[157],"Wiley":[158],"&":[159],"Sons,":[160],"Inc.":[161],"J":[162],"Comput":[163],"Chem":[164],"19:":[165],"1805\u20131815,":[166]},"counts_by_year":[{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}