{"id":"https://openalex.org/W2142015248","doi":"https://doi.org/10.5897/ajbr.9000175","title":"Numerical simulation of the internal vibrations of COOH group in amino-salicylic acids","display_name":"Numerical simulation of the internal vibrations of COOH group in amino-salicylic acids","publication_year":2007,"publication_date":"2007-01-01","ids":{"openalex":"https://openalex.org/W2142015248","doi":"https://doi.org/10.5897/ajbr.9000175","mag":"2142015248"},"language":"en","primary_location":{"id":"mag:2142015248","doi":null,"is_oa":true,"landing_page_url":"https://www.internationalscholarsjournals.com/articles/numerical-simulation-of-the-internal-vibrations-of-cooh-group-in-aminosalicylic-acids.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S2764513290","display_name":"International Journal of Medicine and Medical Sciences","issn_l":"2006-9723","issn":["2006-9723"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310321074","host_organization_name":"Academic Journals","host_organization_lineage":["https://openalex.org/P4310321074"],"host_organization_lineage_names":["Academic Journals"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"International Journal of Medicine and Medical Sciences","raw_type":null},"volume":null,"type":"article","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://www.internationalscholarsjournals.com/articles/numerical-simulation-of-the-internal-vibrations-of-cooh-group-in-aminosalicylic-acids.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5001177935","display_name":"Yogendra Pratap Singh","orcid":"https://orcid.org/0000-0002-9083-1558","observed_orcids":["https://orcid.org/0000-0002-9083-1558"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Yogendra Pratap Singh","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0002-9083-1558","affiliations":[]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074512521","display_name":"Ratnesh Das","orcid":"https://orcid.org/0000-0002-5575-8359","observed_orcids":["https://orcid.org/0000-0002-5575-8359"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Ratnesh Das","raw_affiliation_strings":[],"raw_orcid":"https://orcid.org/0000-0002-5575-8359","affiliations":[]},{"author_position":"last","author":{"id":"https://openalex.org/A5084555847","display_name":"R. A. Singh","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"R. A. Singh","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":0.0,"has_fulltext":false,"cited_by_count":6,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":94},"biblio":{"volume":"1","issue":"2","first_page":"019","last_page":"023"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.7759000062942505,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.7759000062942505,"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":0.1460999995470047,"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"}},{"id":"https://openalex.org/T11324","display_name":"Spectroscopy Techniques in Biomedical and Chemical Research","score":0.035999998450279236,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/internal-vibrations","display_name":"internal vibrations","score":0.6520000100135803},{"id":"https://openalex.org/keywords/vibrational-assignment","display_name":"vibrational assignment","score":0.7699999809265137},{"id":"https://openalex.org/keywords/molecular-geometry-optimization","display_name":"molecular geometry optimization","score":0.6069999933242798},{"id":"https://openalex.org/keywords/am1","display_name":"AM1","score":0.4970000088214874},{"id":"https://openalex.org/keywords/pm3-semi-empirical-method","display_name":"PM3","score":0.9750000238418579},{"id":"https://openalex.org/keywords/density-functional-theory","display_name":"density functional theory","score":0.8130000233650208}],"concepts":[{"id":"https://openalex.org/C24123453","wikidata":"https://www.wikidata.org/wiki/Q900121","display_name":"Molecular vibration","level":3,"score":0.6099122166633606},{"id":"https://openalex.org/C2779886137","wikidata":"https://www.wikidata.org/wiki/Q21030012","display_name":"Symmetry (geometry)","level":2,"score":0.601139485836029},{"id":"https://openalex.org/C198394728","wikidata":"https://www.wikidata.org/wiki/Q3695508","display_name":"Vibration","level":2,"score":0.5944907665252686},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.5911982655525208},{"id":"https://openalex.org/C2778221352","wikidata":"https://www.wikidata.org/wiki/Q193572","display_name":"Salicylic acid","level":2,"score":0.5455141067504883},{"id":"https://openalex.org/C153642686","wikidata":"https://www.wikidata.org/wiki/Q70906","display_name":"Infrared spectroscopy","level":2,"score":0.5433318614959717},{"id":"https://openalex.org/C160892712","wikidata":"https://www.wikidata.org/wiki/Q901559","display_name":"Fourier transform infrared spectroscopy","level":2,"score":0.5004708766937256},{"id":"https://openalex.org/C106487976","wikidata":"https://www.wikidata.org/wiki/Q685816","display_name":"Matrix (chemical analysis)","level":2,"score":0.4949790835380554},{"id":"https://openalex.org/C18762648","wikidata":"https://www.wikidata.org/wiki/Q42213","display_name":"Work (physics)","level":2,"score":0.48248815536499023},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.47302934527397156},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4244471788406372},{"id":"https://openalex.org/C158355884","wikidata":"https://www.wikidata.org/wiki/Q11388","display_name":"Infrared","level":2,"score":0.4232906401157379},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3243948817253113},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3193705081939697},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.3129366934299469},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.31000471115112305},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.2474164366722107},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.17445096373558044},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.16798490285873413},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.13618263602256775},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.12414860725402832},{"id":"https://openalex.org/C97355855","wikidata":"https://www.wikidata.org/wiki/Q11473","display_name":"Thermodynamics","level":1,"score":0.11949419975280762},{"id":"https://openalex.org/C159985019","wikidata":"https://www.wikidata.org/wiki/Q181790","display_name":"Composite material","level":1,"score":0.11289790272712708},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.09810414910316467},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.07538890838623047}],"mesh":[],"locations_count":2,"locations":[{"id":"mag:2142015248","doi":null,"is_oa":true,"landing_page_url":"https://www.internationalscholarsjournals.com/articles/numerical-simulation-of-the-internal-vibrations-of-cooh-group-in-aminosalicylic-acids.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S2764513290","display_name":"International Journal of Medicine and Medical Sciences","issn_l":"2006-9723","issn":["2006-9723"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310321074","host_organization_name":"Academic Journals","host_organization_lineage":["https://openalex.org/P4310321074"],"host_organization_lineage_names":["Academic Journals"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"International Journal of Medicine and Medical Sciences","raw_type":null},{"id":"mag:3198570647","doi":"https://doi.org/10.5897/ajbr.9000175","is_oa":true,"landing_page_url":"https://academicjournals.org/journal/AJBR/article-abstract/B57A87C9671","pdf_url":null,"source":{"id":"https://openalex.org/S2764667937","display_name":"African Journal of Biochemistry Research","issn_l":"1996-0778","issn":["1996-0778"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core"],"host_organization":"https://openalex.org/P4310321074","host_organization_name":"Academic Journals","host_organization_lineage":["https://openalex.org/P4310321074"],"host_organization_lineage_names":["Academic Journals"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"African Journal of Biochemistry Research","raw_type":null}],"best_oa_location":{"id":"mag:2142015248","doi":null,"is_oa":true,"landing_page_url":"https://www.internationalscholarsjournals.com/articles/numerical-simulation-of-the-internal-vibrations-of-cooh-group-in-aminosalicylic-acids.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S2764513290","display_name":"International Journal of Medicine and Medical Sciences","issn_l":"2006-9723","issn":["2006-9723"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/P4310321074","host_organization_name":"Academic Journals","host_organization_lineage":["https://openalex.org/P4310321074"],"host_organization_lineage_names":["Academic Journals"],"type":"journal"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":false,"raw_source_name":"International Journal of Medicine and Medical Sciences","raw_type":null},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":8,"referenced_works":["https://openalex.org/W16117937","https://openalex.org/W1966417274","https://openalex.org/W2047348008","https://openalex.org/W2064262385","https://openalex.org/W2093114346","https://openalex.org/W2143981217","https://openalex.org/W2154881715","https://openalex.org/W2168367498"],"related_works":["https://openalex.org/W2079971465","https://openalex.org/W2053429058","https://openalex.org/W2017455259","https://openalex.org/W2401342107","https://openalex.org/W2010293545","https://openalex.org/W2085310768","https://openalex.org/W2067513692","https://openalex.org/W2084747854","https://openalex.org/W1984185903","https://openalex.org/W68351312"],"abstract_inverted_index":{"Our":[0],"present":[1],"work":[2],"reports":[3],"the":[4,35,41,44,60],"IR":[5,45],"spectra":[6,46,67],"of":[7],"amino":[8],"substituted":[9],"salicylic":[10],"acids":[11],"recorded":[12],"by":[13,78],"FTIR":[14],"spectrometer":[15],"and":[16,27,47],"also":[17],"simulated":[18],"theoretically.":[19],"The":[20,66],"simulation":[21],"was":[22],"performed":[23],"using":[24],"GF":[25],"matrix":[26],"AM1,":[28],"PM3,":[29],"DFT":[30],"method.":[31],"In":[32],"this":[33],"work,":[34],"following":[36],"steps":[37],"were":[38],"taken:":[39],"optimizing":[40],"geometry,":[42],"computing":[43],"comparing":[48],"it":[49],"with":[50],"experimental":[51],"spectra.":[52],"Assuming":[53],"Cs":[54],"point":[55],"symmetry,":[56],"vibrational":[57,75],"assignments":[58],"for":[59],"observed":[61],"frequencies":[62],"have":[63],"been":[64],"proposed.":[65],"exhibit":[68],"distinct":[69],"features":[70],"originating":[71],"from":[72],"low":[73],"frequency":[74],"modes":[76],"caused":[77],"intra-molecular":[79],"motion.":[80]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2014,"cited_by_count":1}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}