{"corpus_id":42524656,"paper_sha":"03294a163a8eb83796767b50247a27cd06855094","doi":"10.1063/1.1824881","arxiv_id":null,"pmid":15638643,"pmcid":null,"mag_id":2160665666,"dblp_id":null,"acl_id":null,"title":"Anharmonic vibrational properties by a fully automated second-order perturbative approach.","year":2005,"publication_date":null,"venue":"Journal of Chemical Physics","journal":{"name":"The Journal of chemical physics","pages":"\n          14108\n        ","volume":"122 1"},"journal_issn":null,"journal_title":null,"publication_types":["JournalArticle"],"pubmed_pub_types":["Journal Article"],"s2_fields_of_study":["Medicine","Physics","Chemistry","Computer Science"],"reference_count":45,"citation_count":1394,"influential_citation_count":27,"is_open_access":false,"arxiv_categories":null,"arxiv_license":null,"arxiv_journal_ref":null,"mesh_headings":null,"chemicals":null,"comments_corrections":null,"source_flags":5,"s2_open_access_pdf_url":null,"s2_open_access_landing_url":null,"s2_open_access_license":null,"s2_open_access_status":null,"pmc_open_access_pdf_url":null,"pmc_open_access_landing_url":null,"pmc_open_access_license":null,"pmc_open_access_status":null,"unpaywall_open_access_pdf_url":null,"unpaywall_open_access_landing_url":null,"unpaywall_open_access_license":null,"unpaywall_open_access_status":null,"abstract":"This paper describes the implementation of a fully automated code for the building of anharmonic force constants and their use in a second-order perturbative evaluation of vibrorotational parameters. 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