{"id":"https://openalex.org/W2184084366","doi":null,"title":"Study of density functional theory and vibrational spectra of hypoxanthine","display_name":"Study of density functional theory and vibrational spectra of hypoxanthine","publication_year":2010,"publication_date":"2010-12-01","ids":{"openalex":"https://openalex.org/W2184084366","mag":"2184084366"},"language":"en","primary_location":{"id":"mag:2184084366","doi":null,"is_oa":true,"landing_page_url":"http://nopr.niscair.res.in/bitstream/123456789/10622/1/IJPAP%2048%2812%29%20869-874.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S109349230","display_name":"Indian Journal of Pure & Applied Physics","issn_l":"0019-5596","issn":["0019-5596","0975-1041"],"is_oa":true,"is_in_doaj":true,"is_core":false,"listed_in":["doaj","dongbi-c","jufo-1","norway-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319965","host_organization_name":"Springer Nature","host_organization_lineage":["https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":null,"is_accepted":false,"is_published":false,"raw_source_name":"Indian Journal of Pure & Applied Physics","raw_type":null},"volume":null,"type":"article","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"http://nopr.niscair.res.in/bitstream/123456789/10622/1/IJPAP%2048%2812%29%20869-874.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5035875665","display_name":"S. Jeyavijayan","orcid":"https://orcid.org/0000-0001-7763-4659","observed_orcids":["https://orcid.org/0000-0001-7763-4659"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"S. Jeyavijayan","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5034381389","display_name":"M. Arivazhagan","orcid":"https://orcid.org/0000-0002-7630-943X","observed_orcids":["https://orcid.org/0000-0002-7630-943X"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"M. Arivazhagan","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":0,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.8688,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.69250318,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"48","issue":"12","first_page":"869","last_page":"874"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11324","display_name":"Spectroscopy Techniques in Biomedical and Chemical Research","score":0.34299999475479126,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T11324","display_name":"Spectroscopy Techniques in Biomedical and Chemical Research","score":0.34299999475479126,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.32030001282691956,"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/T11025","display_name":"Nonlinear Optical Materials Research","score":0.30709999799728394,"subfield":{"id":"https://openalex.org/subfields/2504","display_name":"Electronic, Optical and Magnetic Materials"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/hypoxanthine","display_name":"hypoxanthine","score":1.0},{"id":"https://openalex.org/keywords/vibrational-modes","display_name":"vibrational modes","score":0.75},{"id":"https://openalex.org/keywords/vibrational-spectra","display_name":"vibrational spectra","score":0.8040000200271606},{"id":"https://openalex.org/keywords/ftir-spectroscopy","display_name":"FTIR spectroscopy","score":0.8330000042915344},{"id":"https://openalex.org/keywords/ft-raman-spectroscopy","display_name":"FT-Raman spectroscopy","score":0.9990000128746033},{"id":"https://openalex.org/keywords/normal-coordinate-analysis","display_name":"normal coordinate analysis","score":0.9279999732971191},{"id":"https://openalex.org/keywords/vibrational-assignment","display_name":"vibrational assignment","score":0.7609999775886536},{"id":"https://openalex.org/keywords/total-energy-distribution","display_name":"total energy distribution","score":0.7409999966621399},{"id":"https://openalex.org/keywords/molecular-geometry","display_name":"molecular geometry","score":0.6150000095367432},{"id":"https://openalex.org/keywords/polycrystalline-solids","display_name":"polycrystalline solids","score":0.7919999957084656}],"concepts":[{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.7913866639137268},{"id":"https://openalex.org/C40003534","wikidata":"https://www.wikidata.org/wiki/Q862228","display_name":"Raman spectroscopy","level":2,"score":0.7734171748161316},{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"score":0.6125373840332031},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5621192455291748},{"id":"https://openalex.org/C160892712","wikidata":"https://www.wikidata.org/wiki/Q901559","display_name":"Fourier transform infrared spectroscopy","level":2,"score":0.5247944593429565},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.48639991879463196},{"id":"https://openalex.org/C24123453","wikidata":"https://www.wikidata.org/wiki/Q900121","display_name":"Molecular vibration","level":3,"score":0.47891294956207275},{"id":"https://openalex.org/C2781116151","wikidata":"https://www.wikidata.org/wiki/Q410305","display_name":"Hypoxanthine","level":3,"score":0.47577229142189026},{"id":"https://openalex.org/C102519508","wikidata":"https://www.wikidata.org/wiki/Q6520159","display_name":"Fourier transform","level":2,"score":0.4626513421535492},{"id":"https://openalex.org/C153642686","wikidata":"https://www.wikidata.org/wiki/Q70906","display_name":"Infrared spectroscopy","level":2,"score":0.4581412971019745},{"id":"https://openalex.org/C158355884","wikidata":"https://www.wikidata.org/wiki/Q11388","display_name":"Infrared","level":2,"score":0.4316237270832062},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.4227338433265686},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.40145474672317505},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.39592012763023376},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3574190139770508},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.1197490394115448},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.09589734673500061},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.057629406452178955},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.05277508497238159},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"mag:2184084366","doi":null,"is_oa":true,"landing_page_url":"http://nopr.niscair.res.in/bitstream/123456789/10622/1/IJPAP%2048%2812%29%20869-874.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S109349230","display_name":"Indian Journal of Pure & Applied Physics","issn_l":"0019-5596","issn":["0019-5596","0975-1041"],"is_oa":true,"is_in_doaj":true,"is_core":false,"listed_in":["doaj","dongbi-c","jufo-1","norway-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319965","host_organization_name":"Springer Nature","host_organization_lineage":["https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":null,"is_accepted":false,"is_published":false,"raw_source_name":"Indian Journal of Pure & Applied Physics","raw_type":null}],"best_oa_location":{"id":"mag:2184084366","doi":null,"is_oa":true,"landing_page_url":"http://nopr.niscair.res.in/bitstream/123456789/10622/1/IJPAP%2048%2812%29%20869-874.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S109349230","display_name":"Indian Journal of Pure & Applied Physics","issn_l":"0019-5596","issn":["0019-5596","0975-1041"],"is_oa":true,"is_in_doaj":true,"is_core":false,"listed_in":["doaj","dongbi-c","jufo-1","norway-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310319965","host_organization_name":"Springer Nature","host_organization_lineage":["https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":null,"is_accepted":false,"is_published":false,"raw_source_name":"Indian Journal of Pure & Applied Physics","raw_type":null},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":4,"referenced_works":["https://openalex.org/W15668222","https://openalex.org/W1550061415","https://openalex.org/W2520901870","https://openalex.org/W2615717354"],"related_works":["https://openalex.org/W2015455171","https://openalex.org/W2090234868","https://openalex.org/W2053409287","https://openalex.org/W2024999278","https://openalex.org/W2089933177","https://openalex.org/W2080956868","https://openalex.org/W2491380163","https://openalex.org/W2071785251","https://openalex.org/W2460930525","https://openalex.org/W1989458873"],"abstract_inverted_index":{"The":[0,22,46,80,100],"molecular":[1],"vibrations":[2],"of":[3,29,53,85,110],"hypoxanthine":[4],"have":[5,33],"been":[6,34],"investigated":[7],"in":[8,36,93],"polycrystalline":[9],"sample":[10],"at":[11],"room":[12],"temperature":[13],"by":[14],"Fourier":[15],"transform":[16],"infrared":[17],"(FTIR)":[18],"and":[19,26,40,61,76,82],"FT-Raman":[20,27],"spectroscopies.":[21],"solid":[23],"phase":[24],"FTIR":[25],"spectra":[28,47],"the":[30,37,51,89,97,108,111],"title":[31],"compound":[32],"recorded":[35],"regions":[38],"4000-50":[39],"3500-100":[41],"cm":[42],"-1":[43],",":[44],"respectively.":[45],"were":[48],"interpreted":[49],"with":[50,96],"aid":[52],"normal":[54,83],"coordinate":[55],"analysis":[56],"following":[57],"full":[58],"structure":[59],"optimization":[60],"force":[62],"field":[63],"calculations":[64],"based":[65],"on":[66],"density":[67],"functional":[68],"theory":[69],"(DFT)":[70],"using":[71],"standard":[72],"B3LYP/6-311+G**":[73],"method":[75,91],"basis":[77],"set":[78],"combination.":[79],"geometries":[81],"modes":[84],"vibration":[86],"obtained":[87,106],"from":[88],"DFT":[90],"are":[92],"good":[94],"agreement":[95],"experimental":[98],"data.":[99],"total":[101],"energy":[102],"distribution":[103],"(TED)":[104],"values":[105],"reflect":[107],"correctness":[109],"vibrational":[112],"assignments.":[113]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":4},{"year":2020,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":3}],"updated_date":"2026-10-28T10:33:24.094632","created_date":"2016-06-24T00:00:00"}
