{"id":"https://openalex.org/W72631129","doi":null,"title":"Caracteriza\u00e7\u00e3o do estado fundamental de mol\u00e9culas diat\u00f4micas","display_name":"Caracteriza\u00e7\u00e3o do estado fundamental de mol\u00e9culas diat\u00f4micas","publication_year":2003,"publication_date":"2003-01-01","ids":{"openalex":"https://openalex.org/W72631129","mag":"72631129"},"language":"pt","primary_location":{"id":"pmh:oai:agregador.ibict.br.BDTD_ITA:oai:ita.br:2692","doi":null,"is_oa":true,"landing_page_url":"http://www.bd.bibl.ita.br/tde_busca/arquivo.php?codArquivo=2692","pdf_url":null,"source":{"id":"https://openalex.org/S4306402641","display_name":"LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Cient\u00edficas)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4383465926","host_organization_name":"LA Referencia","host_organization_lineage":["https://openalex.org/I4383465926"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"reponame:Biblioteca Digital de Teses e Disserta\u00e7\u00f5es do ITA","raw_type":"info:eu-repo/semantics/masterThesis"},"volume":null,"type":"dissertation","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"http://www.bd.bibl.ita.br/tde_busca/arquivo.php?codArquivo=2692","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5008462136","display_name":"Marina Pelegrini","orcid":"https://orcid.org/0000-0003-4848-3403","observed_orcids":["https://orcid.org/0000-0003-4848-3403"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Marina Pelegrini","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0003-4848-3403","affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":["https://openalex.org/A5008462136"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9878000020980835,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.9878000020980835,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10523","display_name":"Atomic and Molecular Physics","score":0.006000000052154064,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12044","display_name":"Advanced Physical and Chemical Molecular Interactions","score":0.0019000000320374966,"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/diatomic-molecules","display_name":"diatomic molecules","score":0.9769999980926514},{"id":"https://openalex.org/keywords/electronic-ground-state","display_name":"electronic ground state","score":0.6269999742507935},{"id":"https://openalex.org/keywords/electronic-spectroscopy","display_name":"electronic spectroscopy","score":0.5649999976158142},{"id":"https://openalex.org/keywords/chemical-bonding","display_name":"chemical bonding","score":0.921999990940094},{"id":"https://openalex.org/keywords/configuration-interaction","display_name":"configuration interaction","score":0.5649999976158142},{"id":"https://openalex.org/keywords/mrsdci","display_name":"MRSDCI","score":0.8519999980926514},{"id":"https://openalex.org/keywords/perturbation-theory","display_name":"perturbation theory","score":0.5889999866485596},{"id":"https://openalex.org/keywords/potential-energy-curves","display_name":"potential energy curves","score":0.7269999980926514},{"id":"https://openalex.org/keywords/dipole-moment-function","display_name":"dipole moment function","score":0.8790000081062317},{"id":"https://openalex.org/keywords/transition-dipole-moment","display_name":"transition dipole moment","score":0.621999979019165},{"id":"https://openalex.org/keywords/vibrational-levels","display_name":"vibrational levels","score":0.9779999852180481},{"id":"https://openalex.org/keywords/vibrational-transition-probabilities","display_name":"vibrational transition probabilities","score":0.9020000100135803},{"id":"https://openalex.org/keywords/radiative-lifetime","display_name":"radiative lifetime","score":0.9419999718666077},{"id":"https://openalex.org/keywords/dissociation-channels","display_name":"dissociation channels","score":0.7559999823570251},{"id":"https://openalex.org/keywords/heteronuclear-molecules","display_name":"heteronuclear molecules","score":0.6869999766349792},{"id":"https://openalex.org/keywords/molecular-wave-functions","display_name":"molecular wave functions","score":0.5889999866485596}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2543761730194092}],"mesh":[],"locations_count":3,"locations":[{"id":"pmh:oai:agregador.ibict.br.BDTD_ITA:oai:ita.br:2692","doi":null,"is_oa":true,"landing_page_url":"http://www.bd.bibl.ita.br/tde_busca/arquivo.php?codArquivo=2692","pdf_url":null,"source":{"id":"https://openalex.org/S4306402641","display_name":"LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Cient\u00edficas)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4383465926","host_organization_name":"LA Referencia","host_organization_lineage":["https://openalex.org/I4383465926"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"reponame:Biblioteca Digital de Teses e Disserta\u00e7\u00f5es do ITA","raw_type":"info:eu-repo/semantics/masterThesis"},{"id":"pmh:oai:americanae.aecid.es:1684661","doi":null,"is_oa":true,"landing_page_url":"http://www.bd.bibl.ita.br/tde_busca/arquivo.php?codArquivo=2692","pdf_url":null,"source":{"id":"https://openalex.org/S4306400786","display_name":"Americanae (AECID Library)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"reponame:Biblioteca Digital de Teses e Disserta\u00e7\u00f5es do ITA","raw_type":"info:eu-repo/semantics/masterThesis"},{"id":"mag:72631129","doi":null,"is_oa":false,"landing_page_url":"http://www.bd.bibl.ita.br/tesesdigitais/000489400.pdf","pdf_url":null,"source":null,"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":null}],"best_oa_location":{"id":"pmh:oai:agregador.ibict.br.BDTD_ITA:oai:ita.br:2692","doi":null,"is_oa":true,"landing_page_url":"http://www.bd.bibl.ita.br/tde_busca/arquivo.php?codArquivo=2692","pdf_url":null,"source":{"id":"https://openalex.org/S4306402641","display_name":"LA Referencia (Red Federada de Repositorios Institucionales de Publicaciones Cient\u00edficas)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4383465926","host_organization_name":"LA Referencia","host_organization_lineage":["https://openalex.org/I4383465926"],"host_organization_lineage_names":[],"type":"repository"},"license":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"reponame:Biblioteca Digital de Teses e Disserta\u00e7\u00f5es do ITA","raw_type":"info:eu-repo/semantics/masterThesis"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":5,"referenced_works":["https://openalex.org/W630017158","https://openalex.org/W1541651196","https://openalex.org/W1576235523","https://openalex.org/W1645422644","https://openalex.org/W2046002177"],"related_works":["https://openalex.org/W6999180326","https://openalex.org/W2057490164","https://openalex.org/W7120446152","https://openalex.org/W2062380179","https://openalex.org/W6981636742","https://openalex.org/W7120438980","https://openalex.org/W7036669230","https://openalex.org/W3112662488","https://openalex.org/W1634760546","https://openalex.org/W2097544143"],"abstract_inverted_index":{"Este":[0],"trabalho":[1],"consiste":[2],"num":[3],"estudo":[4,129],"te\u00f3rico":[5],"da":[6,9,25,32,196],"espectroscopia":[7],"e":[8,51,61,72,105,118,126,159,163,221],"liga\u00e7\u00e3o":[10],"qu\u00edmica":[11,26],"de":[12,16,22,30,39,45,52,65,68,78,90,96,115,124,174,186,198,200,205,209,214,218,224,228],"alguns":[13],"estados":[14,165,172],"eletr\u00f4nicos":[15,166,173],"v\u00e1rias":[17,132],"mol\u00e9culas":[18,81,111,136,148],"diat\u00f4micas":[19,82],"a":[20,63],"partir":[21,64],"princ\u00edpios":[23],"fundamentais":[24],"te\u00f3rica.":[27],"Como":[28,108],"abordagem":[29],"c\u00e1lculo":[31],"estrutura":[33],"eletr\u00f4nica":[34],"utilizou-se":[35],"o":[36,113],"m\u00e9todo":[37],"intera\u00e7\u00e3o":[38],"configura\u00e7\u00f5es":[40],"(CI)":[41],"com":[42,73,93,121],"as":[43,147],"fun\u00e7\u00f5es":[44,55,203,207,227],"onda":[46],"adaptadas":[47],"\u00e0s":[48],"simetrias":[49],"espacial":[50],"spin.":[53],"Essas":[54],"foram":[56],"geradas":[57],"como":[58],"excita\u00e7\u00f5es":[59],"simples":[60],"duplas":[62],"um":[66,164],"conjunto":[67],"m\u00faltiplas":[69],"refer\u00eancias":[70],"(MRSDCI)":[71],"posterior":[74],"sele\u00e7\u00e3o":[75],"por":[76],"teoria":[77],"perturba\u00e7\u00e3o.":[79],"As":[80],"heteronucleares":[83],"estudadas":[84,149],"s\u00e3o":[85],"aquelas":[86,110],"formadas":[87],"pelo":[88],"\u00e1tomo":[89,114],"c\u00e1lcio":[91],"(Ca)":[92],"os":[94,122,183],"\u00e1tomos":[95,123],"boro":[97,125],"(B),":[98],"carbono":[99],"(C),":[100],"nitrog\u00eanio":[101],"(N),":[102],"oxig\u00eanio":[103],"(O)":[104],"fl\u00faor":[106],"(F).":[107],"tamb\u00e9m":[109,137],"envolvendo":[112],"ber\u00edlio":[116],"(Be)":[117],"magn\u00e9sio":[119],"(Mg)":[120],"carbono.":[127],"Um":[128],"comparativo":[130],"das":[131,222],"propriedades":[133],"espectrosc\u00f3picas":[134],"destas":[135,191],"faz":[138],"parte":[139],"dos":[140],"objetivos":[141],"principais":[142],"deste":[143],"trabalho.":[144],"Desta":[145],"maneira,":[146],"foram,":[150],"BeB,":[151],"MgB,":[152],"CaB,":[153],"BeC,":[154],"MgC,":[155],"CaC,":[156],"CaN,":[157],"CaO":[158],"CaF,":[160],"totalizando":[161],"vinte":[162],"estudados.Para":[167],"cada":[168],"mol\u00e9cula,":[169],"estudou-se":[170],"diferentes":[171],"mais":[175],"baixa":[176],"energia,":[177],"principalmente":[178],"aqueles":[179],"que":[180],"dissociam":[181],"para":[182],"primeiros":[184],"canais":[185],"dissocia\u00e7\u00e3o.":[187],"A":[188],"caracteriza\u00e7\u00e3o":[189],"espectrosc\u00f3pica":[190],"esp\u00e9cies":[192],"foi":[193],"realizada":[194],"atrav\u00e9s":[195],"obten\u00e7\u00e3o":[197],"curvas":[199],"energia":[201],"potencial,":[202],"momento":[204,208],"dipolo,":[206],"transi\u00e7\u00e3o,":[210],"n\u00edveis":[211],"vibracionais,":[212],"probabilidades":[213],"transi\u00e7\u00f5es":[215],"vibr\u00f4nicas,":[216],"tempos":[217],"vida":[219],"radiativa":[220],"an\u00e1lises":[223],"suas":[225],"respectivas":[226],"onda.":[229]},"counts_by_year":[],"updated_date":"2026-10-01T08:54:57.152042","created_date":"2016-06-24T00:00:00"}
