{"id":"https://openalex.org/W2004574151","doi":"https://doi.org/10.1016/j.saa.2012.12.057","title":"Experimental and theoretical investigations of spectroscopic properties of 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine","display_name":"Experimental and theoretical investigations of spectroscopic properties of 8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine","publication_year":2013,"publication_date":"2013-01-02","ids":{"openalex":"https://openalex.org/W2004574151","doi":"https://doi.org/10.1016/j.saa.2012.12.057","mag":"2004574151","pmid":"https://pubmed.ncbi.nlm.nih.gov/23376268"},"language":"en","primary_location":{"id":"doi:10.1016/j.saa.2012.12.057","doi":"https://doi.org/10.1016/j.saa.2012.12.057","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.saa.2012.12.057","pdf_url":null,"source":{"id":"https://openalex.org/S96873385","display_name":"Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy","issn_l":"1386-1425","issn":["1386-1425","1873-3557"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5004131969","display_name":"S. Muthu","orcid":"https://orcid.org/0000-0002-5974-9732","observed_orcids":["https://orcid.org/0000-0002-5974-9732"]},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"S. Muthu","raw_affiliation_strings":["Department of Physics, Sri Venkateshwara College of Engineering, Sriperumbudur, Tamilnadu, India. muthu@svce.ac.in","Department of Physics, Sri Venkateshwara College of Engineering, Sriperumbudur, Tamilnadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Sri Venkateshwara College of Engineering, Sriperumbudur, Tamilnadu, India. muthu@svce.ac.in","institution_ids":[]},{"raw_affiliation_string":"Department of Physics, Sri Venkateshwara College of Engineering, Sriperumbudur, Tamilnadu, India","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069904253","display_name":"M. Prasath","orcid":"https://orcid.org/0000-0002-9626-1162","observed_orcids":["https://orcid.org/0000-0002-9626-1162"]},"institutions":[{"id":"https://openalex.org/I182997119","display_name":"Manonmaniam Sundaranar University","ror":"https://ror.org/02qgw5c67","country_code":"IN","type":"education","lineage":["https://openalex.org/I182997119"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"M. Prasath","raw_affiliation_strings":["Department of Physics, Aksheyaa College of Engineering, Puludivakkam, Tamilnadu, India","Department of Physics, Manonmaniam Sundaranar University, Tirunelveli, Tamilnadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Aksheyaa College of Engineering, Puludivakkam, Tamilnadu, India","institution_ids":[]},{"raw_affiliation_string":"Department of Physics, Manonmaniam Sundaranar University, Tirunelveli, Tamilnadu, India","institution_ids":["https://openalex.org/I182997119"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110001647","display_name":"R. Arun Balaji","orcid":null,"observed_orcids":[]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"R. Arun Balaji","raw_affiliation_strings":["Department of Physics, GRT Institute of Engineering and Technology, Tirutani, Tamilnadu, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, GRT Institute of Engineering and Technology, Tirutani, Tamilnadu, India","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5004131969"],"corresponding_institution_ids":[],"apc_list":{"value":3750,"currency":"USD","value_usd":3750},"apc_paid":null,"fwci":0.3508,"has_fulltext":false,"cited_by_count":17,"citation_normalized_percentile":{"value":0.50906128,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"106","issue":null,"first_page":"129","last_page":"145"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.9907000064849854,"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"}},"topics":[{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.9907000064849854,"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":0.004100000020116568,"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":0.0020000000949949026,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/ftir-spectra","display_name":"FTIR spectra","score":0.6050000190734863},{"id":"https://openalex.org/keywords/ft-raman-spectra","display_name":"FT-Raman spectra","score":0.9980000257492065},{"id":"https://openalex.org/keywords/vibrational-assignment","display_name":"vibrational assignment","score":0.7680000066757202},{"id":"https://openalex.org/keywords/potential-energy-distribution","display_name":"potential energy distribution","score":0.9739999771118164},{"id":"https://openalex.org/keywords/first-hyperpolarizability","display_name":"first hyperpolarizability","score":0.7580000162124634},{"id":"https://openalex.org/keywords/nonlinear-optical-properties","display_name":"nonlinear optical properties","score":0.8100000023841858},{"id":"https://openalex.org/keywords/homo-lumo-energy-levels","display_name":"HOMO-LUMO energy levels","score":0.8209999799728394},{"id":"https://openalex.org/keywords/charge-transfer","display_name":"charge transfer","score":0.8870000243186951},{"id":"https://openalex.org/keywords/hyperconjugation","display_name":"hyperconjugation","score":0.8209999799728394},{"id":"https://openalex.org/keywords/conformational-analysis","display_name":"conformational analysis","score":0.8489999771118164},{"id":"https://openalex.org/keywords/molecular-entropy","display_name":"molecular entropy","score":0.675000011920929},{"id":"https://openalex.org/keywords/thermodynamic-properties","display_name":"thermodynamic properties","score":0.9100000262260437},{"id":"https://openalex.org/keywords/nbo-analysis","display_name":"natural bond orbital analysis","score":0.5789999961853027}],"concepts":[{"id":"https://openalex.org/C2780694488","wikidata":"https://www.wikidata.org/wiki/Q2477036","display_name":"Hyperpolarizability","level":4,"score":0.8565592765808105},{"id":"https://openalex.org/C130188946","wikidata":"https://www.wikidata.org/wiki/Q4391470","display_name":"Natural bond orbital","level":3,"score":0.8407742977142334},{"id":"https://openalex.org/C14158195","wikidata":"https://www.wikidata.org/wiki/Q899637","display_name":"HOMO/LUMO","level":3,"score":0.6979427337646484},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6934558749198914},{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"score":0.62464439868927},{"id":"https://openalex.org/C70050531","wikidata":"https://www.wikidata.org/wiki/Q899089","display_name":"Delocalized electron","level":2,"score":0.577888548374176},{"id":"https://openalex.org/C193547582","wikidata":"https://www.wikidata.org/wiki/Q911331","display_name":"Molecular geometry","level":3,"score":0.4856683015823364},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.47920021414756775},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4693848788738251},{"id":"https://openalex.org/C139358910","wikidata":"https://www.wikidata.org/wiki/Q725417","display_name":"Molecular orbital","level":3,"score":0.45249244570732117},{"id":"https://openalex.org/C24123453","wikidata":"https://www.wikidata.org/wiki/Q900121","display_name":"Molecular vibration","level":3,"score":0.4406067728996277},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4285344183444977},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.3292063772678375},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C139287275","wikidata":"https://www.wikidata.org/wiki/Q869891","display_name":"Polarizability","level":3,"score":0.0}],"mesh":[{"descriptor_ui":"D001569","descriptor_name":"Benzodiazepines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013059","descriptor_name":"Spectrum Analysis, Raman","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014230","descriptor_name":"Triazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D017550","descriptor_name":"Spectroscopy, Fourier Transform Infrared","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1016/j.saa.2012.12.057","doi":"https://doi.org/10.1016/j.saa.2012.12.057","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.saa.2012.12.057","pdf_url":null,"source":{"id":"https://openalex.org/S96873385","display_name":"Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy","issn_l":"1386-1425","issn":["1386-1425","1873-3557"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-a","jufo-1","medline","norway-1","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","raw_type":"journal-article"},{"id":"pmid:23376268","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23376268","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,"listed_in":[],"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":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":46,"referenced_works":["https://openalex.org/W571042174","https://openalex.org/W588696479","https://openalex.org/W1005476206","https://openalex.org/W1656774416","https://openalex.org/W1963982052","https://openalex.org/W1965173894","https://openalex.org/W1971646607","https://openalex.org/W1986476662","https://openalex.org/W1988080518","https://openalex.org/W2011254332","https://openalex.org/W2012835124","https://openalex.org/W2022692847","https://openalex.org/W2023271753","https://openalex.org/W2024315847","https://openalex.org/W2024820656","https://openalex.org/W2032373722","https://openalex.org/W2046485374","https://openalex.org/W2050622950","https://openalex.org/W2063222925","https://openalex.org/W2065450385","https://openalex.org/W2066730333","https://openalex.org/W2069644518","https://openalex.org/W2071544581","https://openalex.org/W2071697102","https://openalex.org/W2077796804","https://openalex.org/W2077883182","https://openalex.org/W2078814811","https://openalex.org/W2080085407","https://openalex.org/W2088644097","https://openalex.org/W2090031519","https://openalex.org/W2091996211","https://openalex.org/W2093574720","https://openalex.org/W2097079694","https://openalex.org/W2101043381","https://openalex.org/W2102188940","https://openalex.org/W2142645112","https://openalex.org/W2142646034","https://openalex.org/W2143981217","https://openalex.org/W2433994651","https://openalex.org/W2460159254","https://openalex.org/W2477603435","https://openalex.org/W2479404345","https://openalex.org/W3004455425","https://openalex.org/W3147071450","https://openalex.org/W4249979959","https://openalex.org/W4254943920"],"related_works":["https://openalex.org/W1989536670","https://openalex.org/W2592938468","https://openalex.org/W2044278684","https://openalex.org/W1976325898","https://openalex.org/W2025762777","https://openalex.org/W1975436504","https://openalex.org/W4211252730","https://openalex.org/W2787686016","https://openalex.org/W2035525513","https://openalex.org/W2005223733"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":5},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2016-06-24T00:00:00"}