{"id":"https://openalex.org/W2011040569","doi":"https://doi.org/10.1021/ci0256539","title":"Transformation of Harmonics for Molecular Calculations","display_name":"Transformation of Harmonics for Molecular Calculations","publication_year":2003,"publication_date":"2003-06-13","ids":{"openalex":"https://openalex.org/W2011040569","doi":"https://doi.org/10.1021/ci0256539","mag":"2011040569","pmid":"https://pubmed.ncbi.nlm.nih.gov/12870907"},"language":"en","primary_location":{"id":"doi:10.1021/ci0256539","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci0256539","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","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/A5111945756","display_name":"Michael P. Barnett","orcid":null},"institutions":[{"id":"https://openalex.org/I20089843","display_name":"Princeton University","ror":"https://ror.org/00hx57361","country_code":"US","type":"education","lineage":["https://openalex.org/I20089843"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Michael P. Barnett","raw_affiliation_strings":["Department of Chemistry, Princeton University, Princeton, New Jersey 08544-1009","Department of Chemistry, Princeton University, Princeton, New Jersey 08544-1009, USA"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Princeton University, Princeton, New Jersey 08544-1009","institution_ids":["https://openalex.org/I20089843"]},{"raw_affiliation_string":"Department of Chemistry, Princeton University, Princeton, New Jersey 08544-1009, USA","institution_ids":["https://openalex.org/I20089843"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5111945756"],"corresponding_institution_ids":["https://openalex.org/I20089843"],"apc_list":null,"apc_paid":null,"fwci":0.5098,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.64637707,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":96},"biblio":{"volume":"43","issue":"4","first_page":"1158","last_page":"1165"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13126","display_name":"Scientific Research and Discoveries","score":0.994700014591217,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear Physics"},"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/T13126","display_name":"Scientific Research and Discoveries","score":0.994700014591217,"subfield":{"id":"https://openalex.org/subfields/3109","display_name":"Statistical and Nonlinear Physics"},"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":0.9366000294685364,"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"}},{"id":"https://openalex.org/T12748","display_name":"Molecular spectroscopy and chirality","score":0.906499981880188,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/spherical-harmonics","display_name":"Spherical harmonics","score":0.716076135635376},{"id":"https://openalex.org/keywords/transformation","display_name":"Transformation (genetics)","score":0.7149867415428162},{"id":"https://openalex.org/keywords/computation","display_name":"Computation","score":0.6669737696647644},{"id":"https://openalex.org/keywords/rotation","display_name":"Rotation (mathematics)","score":0.6451877951622009},{"id":"https://openalex.org/keywords/translation","display_name":"Translation (biology)","score":0.6067781448364258},{"id":"https://openalex.org/keywords/gaussian","display_name":"Gaussian","score":0.5654011368751526},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5035318732261658},{"id":"https://openalex.org/keywords/construct","display_name":"Construct (python library)","score":0.49458953738212585},{"id":"https://openalex.org/keywords/exponential-function","display_name":"Exponential function","score":0.47636935114860535},{"id":"https://openalex.org/keywords/harmonics","display_name":"Harmonics","score":0.4717565178871155},{"id":"https://openalex.org/keywords/algebra-over-a-field","display_name":"Algebra over a field","score":0.45840102434158325},{"id":"https://openalex.org/keywords/atomic-orbital","display_name":"Atomic orbital","score":0.4279502034187317},{"id":"https://openalex.org/keywords/table","display_name":"Table (database)","score":0.4163268208503723},{"id":"https://openalex.org/keywords/computational-science","display_name":"Computational science","score":0.3990997076034546},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3731161952018738},{"id":"https://openalex.org/keywords/applied-mathematics","display_name":"Applied mathematics","score":0.3428437113761902},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.32321110367774963},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.3007580637931824},{"id":"https://openalex.org/keywords/mathematical-analysis","display_name":"Mathematical analysis","score":0.1834753155708313},{"id":"https://openalex.org/keywords/pure-mathematics","display_name":"Pure mathematics","score":0.17314645648002625},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.15375462174415588},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.1386311650276184},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.1294780671596527},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.11312997341156006},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.0976794958114624},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.07964181900024414}],"concepts":[{"id":"https://openalex.org/C3768446","wikidata":"https://www.wikidata.org/wiki/Q877100","display_name":"Spherical harmonics","level":2,"score":0.716076135635376},{"id":"https://openalex.org/C204241405","wikidata":"https://www.wikidata.org/wiki/Q461499","display_name":"Transformation (genetics)","level":3,"score":0.7149867415428162},{"id":"https://openalex.org/C45374587","wikidata":"https://www.wikidata.org/wiki/Q12525525","display_name":"Computation","level":2,"score":0.6669737696647644},{"id":"https://openalex.org/C74050887","wikidata":"https://www.wikidata.org/wiki/Q848368","display_name":"Rotation (mathematics)","level":2,"score":0.6451877951622009},{"id":"https://openalex.org/C149364088","wikidata":"https://www.wikidata.org/wiki/Q185917","display_name":"Translation (biology)","level":4,"score":0.6067781448364258},{"id":"https://openalex.org/C163716315","wikidata":"https://www.wikidata.org/wiki/Q901177","display_name":"Gaussian","level":2,"score":0.5654011368751526},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5035318732261658},{"id":"https://openalex.org/C2780801425","wikidata":"https://www.wikidata.org/wiki/Q5164392","display_name":"Construct (python library)","level":2,"score":0.49458953738212585},{"id":"https://openalex.org/C151376022","wikidata":"https://www.wikidata.org/wiki/Q168698","display_name":"Exponential function","level":2,"score":0.47636935114860535},{"id":"https://openalex.org/C188414643","wikidata":"https://www.wikidata.org/wiki/Q3001183","display_name":"Harmonics","level":3,"score":0.4717565178871155},{"id":"https://openalex.org/C136119220","wikidata":"https://www.wikidata.org/wiki/Q1000660","display_name":"Algebra over a field","level":2,"score":0.45840102434158325},{"id":"https://openalex.org/C189394030","wikidata":"https://www.wikidata.org/wiki/Q53860","display_name":"Atomic orbital","level":3,"score":0.4279502034187317},{"id":"https://openalex.org/C45235069","wikidata":"https://www.wikidata.org/wiki/Q278425","display_name":"Table (database)","level":2,"score":0.4163268208503723},{"id":"https://openalex.org/C459310","wikidata":"https://www.wikidata.org/wiki/Q117801","display_name":"Computational science","level":1,"score":0.3990997076034546},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3731161952018738},{"id":"https://openalex.org/C28826006","wikidata":"https://www.wikidata.org/wiki/Q33521","display_name":"Applied mathematics","level":1,"score":0.3428437113761902},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.32321110367774963},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3007580637931824},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.1834753155708313},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.17314645648002625},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.15375462174415588},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1386311650276184},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.1294780671596527},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.11312997341156006},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0976794958114624},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.07964181900024414},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C147120987","wikidata":"https://www.wikidata.org/wiki/Q2225","display_name":"Electron","level":2,"score":0.0},{"id":"https://openalex.org/C165801399","wikidata":"https://www.wikidata.org/wiki/Q25428","display_name":"Voltage","level":2,"score":0.0},{"id":"https://openalex.org/C105580179","wikidata":"https://www.wikidata.org/wiki/Q188928","display_name":"Messenger RNA","level":3,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci0256539","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci0256539","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":"pmid:12870907","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12870907","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 chemical information and computer sciences","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":12,"referenced_works":["https://openalex.org/W1528528036","https://openalex.org/W1968229647","https://openalex.org/W2007399410","https://openalex.org/W2019986796","https://openalex.org/W2060115485","https://openalex.org/W2067233460","https://openalex.org/W2068098029","https://openalex.org/W2081571001","https://openalex.org/W2111996309","https://openalex.org/W2579218780","https://openalex.org/W4246936399","https://openalex.org/W4250453066"],"related_works":["https://openalex.org/W2370517014","https://openalex.org/W2039242888","https://openalex.org/W2515867587","https://openalex.org/W1838021708","https://openalex.org/W2379042074","https://openalex.org/W2535445299","https://openalex.org/W2020985248","https://openalex.org/W2160225810","https://openalex.org/W75722962","https://openalex.org/W4385659449"],"abstract_inverted_index":{"The":[0,44],"evaluation":[1],"of":[2,15,29,68],"multicenter":[3],"integrals":[4],"over":[5],"Gaussian":[6],"and":[7,13,61],"exponential-type":[8],"orbitals":[9],"requires":[10],"the":[11],"rotation":[12],"translation":[14],"spherical":[16],"harmonics.":[17],"We":[18],"used":[19],"computer":[20],"algebra":[21],"(CA)":[22],"to":[23,51,65],"construct":[24],"a":[25],"machine":[26],"readable":[27],"table":[28],"formulas":[30],"for":[31],"these":[32],"transformations":[33],"that":[34,57],"support":[35],"unrestricted":[36],"precision":[37],"numerical":[38],"computations.":[39],"Extensive":[40],"checks":[41],"are":[42],"provided.":[43],"calculation":[45],"is":[46,58],"presented":[47],"in":[48],"an":[49],"easy":[50],"follow":[52],"top-down":[53],"functional":[54],"programming":[55],"style":[56],"very":[59],"powerful":[60],"can":[62],"be":[63],"applied":[64],"many":[66],"problems":[67],"computational":[69],"chemistry.":[70]},"counts_by_year":[{"year":2015,"cited_by_count":1},{"year":2012,"cited_by_count":2}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
