{"id":"https://openalex.org/W2024979176","doi":"https://doi.org/10.1016/j.chemphys.2010.11.012","title":"Clusters of acrylonitrile in methanol/ethanol: A structure\u2013spectra correlation by quantum chemical and polarized Raman study","display_name":"Clusters of acrylonitrile in methanol/ethanol: A structure\u2013spectra correlation by quantum chemical and polarized Raman study","publication_year":2010,"publication_date":"2010-12-14","ids":{"openalex":"https://openalex.org/W2024979176","doi":"https://doi.org/10.1016/j.chemphys.2010.11.012","mag":"2024979176"},"language":"en","primary_location":{"id":"doi:10.1016/j.chemphys.2010.11.012","doi":"https://doi.org/10.1016/j.chemphys.2010.11.012","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.chemphys.2010.11.012","pdf_url":null,"source":{"id":"https://openalex.org/S190037396","display_name":"Chemical Physics","issn_l":"0301-0104","issn":["0301-0104","1873-4421"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1"],"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":"Chemical Physics","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"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/A5003589984","display_name":"Dheeraj Kumar Singh","orcid":"https://orcid.org/0000-0001-8370-9549","observed_orcids":["https://orcid.org/0000-0001-8370-9549","https://orcid.org/0000-0001-8996-6773"]},"institutions":[{"id":"https://openalex.org/I91357014","display_name":"Banaras Hindu University","ror":"https://ror.org/04cdn2797","country_code":"IN","type":"education","lineage":["https://openalex.org/I91357014"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Dheeraj K. Singh","raw_affiliation_strings":["Laser and Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221005, India","Laser & Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi, 221005, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laser and Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221005, India","institution_ids":["https://openalex.org/I91357014"]},{"raw_affiliation_string":"Laser & Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi, 221005, India","institution_ids":["https://openalex.org/I91357014"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101897129","display_name":"Sunil K. Srivastava","orcid":"https://orcid.org/0000-0001-9615-7990","observed_orcids":["https://orcid.org/0000-0001-9615-7990"]},"institutions":[{"id":"https://openalex.org/I91357014","display_name":"Banaras Hindu University","ror":"https://ror.org/04cdn2797","country_code":"IN","type":"education","lineage":["https://openalex.org/I91357014"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Sunil K. Srivastava","raw_affiliation_strings":["Laser and Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221005, India","Laser & Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi, 221005, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laser and Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221005, India","institution_ids":["https://openalex.org/I91357014"]},{"raw_affiliation_string":"Laser & Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi, 221005, India","institution_ids":["https://openalex.org/I91357014"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5063727798","display_name":"B. P. Asthana","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I91357014","display_name":"Banaras Hindu University","ror":"https://ror.org/04cdn2797","country_code":"IN","type":"education","lineage":["https://openalex.org/I91357014"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Birendra P. Asthana","raw_affiliation_strings":["Laser and Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221005, India","Laser & Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi, 221005, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laser and Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi 221005, India","institution_ids":["https://openalex.org/I91357014"]},{"raw_affiliation_string":"Laser & Spectroscopy Laboratory, Department of Physics, Banaras Hindu University, Varanasi, 221005, India","institution_ids":["https://openalex.org/I91357014"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5063727798"],"corresponding_institution_ids":["https://openalex.org/I91357014"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":1.2105,"has_fulltext":false,"cited_by_count":17,"citation_normalized_percentile":{"value":0.78052564,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"380","issue":"1-3","first_page":"24","last_page":"33"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.5820000171661377,"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":0.5820000171661377,"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/T12967","display_name":"Molecular Spectroscopy and Structure","score":0.3869999945163727,"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"}},{"id":"https://openalex.org/T11324","display_name":"Spectroscopy Techniques in Biomedical and Chemical Research","score":0.006200000178068876,"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/acrylonitrile","display_name":"acrylonitrile","score":0.9760000109672546},{"id":"https://openalex.org/keywords/methanol","display_name":"methanol","score":0.8109999895095825},{"id":"https://openalex.org/keywords/ethanol","display_name":"ethanol","score":1.0},{"id":"https://openalex.org/keywords/hydrogen-bonding","display_name":"hydrogen bonding","score":0.7540000081062317},{"id":"https://openalex.org/keywords/structure-spectra-relationship","display_name":"structure-spectra relationship","score":0.7419999837875366},{"id":"https://openalex.org/keywords/polarized-raman-spectra","display_name":"polarized Raman spectra","score":0.8579999804496765},{"id":"https://openalex.org/keywords/cn-stretching-mode","display_name":"CN stretching mode","score":0.6959999799728394},{"id":"https://openalex.org/keywords/microviscosity","display_name":"microviscosity","score":0.6970000267028809},{"id":"https://openalex.org/keywords/concentration-fluctuations","display_name":"concentration fluctuations","score":0.7889999747276306},{"id":"https://openalex.org/keywords/binary-mixtures","display_name":"binary mixtures","score":0.7360000014305115},{"id":"https://openalex.org/keywords/gas-phase-clusters","display_name":"gas-phase clusters","score":0.640999972820282}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9035013914108276},{"id":"https://openalex.org/C40003534","wikidata":"https://www.wikidata.org/wiki/Q862228","display_name":"Raman spectroscopy","level":2,"score":0.6866213083267212},{"id":"https://openalex.org/C2776403692","wikidata":"https://www.wikidata.org/wiki/Q898416","display_name":"Trimer","level":3,"score":0.6813154816627502},{"id":"https://openalex.org/C2779546866","wikidata":"https://www.wikidata.org/wiki/Q531306","display_name":"Dimer","level":2,"score":0.6184433698654175},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.5448735356330872},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.5305236577987671},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.4699416756629944},{"id":"https://openalex.org/C49023278","wikidata":"https://www.wikidata.org/wiki/Q5260650","display_name":"Dephasing","level":2,"score":0.4692416489124298},{"id":"https://openalex.org/C2778372188","wikidata":"https://www.wikidata.org/wiki/Q342968","display_name":"Acrylonitrile","level":4,"score":0.4496236741542816},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.44556936621665955},{"id":"https://openalex.org/C183971685","wikidata":"https://www.wikidata.org/wiki/Q547605","display_name":"Ab initio quantum chemistry methods","level":3,"score":0.42798519134521484},{"id":"https://openalex.org/C2779607525","wikidata":"https://www.wikidata.org/wiki/Q14982","display_name":"Methanol","level":2,"score":0.42223963141441345},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.3996471166610718},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.35351452231407166},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.3260759115219116},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.2977721691131592},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.29628586769104004},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.10090047121047974},{"id":"https://openalex.org/C26873012","wikidata":"https://www.wikidata.org/wiki/Q214781","display_name":"Condensed matter physics","level":1,"score":0.079892098903656},{"id":"https://openalex.org/C521977710","wikidata":"https://www.wikidata.org/wiki/Q81163","display_name":"Polymer","level":2,"score":0.060583293437957764},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C1276947","wikidata":"https://www.wikidata.org/wiki/Q333","display_name":"Astronomy","level":1,"score":0.0},{"id":"https://openalex.org/C15920480","wikidata":"https://www.wikidata.org/wiki/Q421281","display_name":"Copolymer","level":3,"score":0.0},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.chemphys.2010.11.012","doi":"https://doi.org/10.1016/j.chemphys.2010.11.012","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.chemphys.2010.11.012","pdf_url":null,"source":{"id":"https://openalex.org/S190037396","display_name":"Chemical Physics","issn_l":"0301-0104","issn":["0301-0104","1873-4421"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","ki-jl-1","norway-1"],"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":"Chemical Physics","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"sustainable_development_goals_aurora":[{"score":0.550000011920929,"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation"}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320308269","display_name":"Alexander von Humboldt-Stiftung","ror":"https://ror.org/012kf4317"},{"id":"https://openalex.org/F4320320721","display_name":"Council of Scientific and Industrial Research, India","ror":"https://ror.org/021wm7p51"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":52,"referenced_works":["https://openalex.org/W625272620","https://openalex.org/W1538688817","https://openalex.org/W1544477856","https://openalex.org/W1963588691","https://openalex.org/W1964105998","https://openalex.org/W1966157512","https://openalex.org/W1966235871","https://openalex.org/W1971275758","https://openalex.org/W1972860361","https://openalex.org/W1973080327","https://openalex.org/W1976413714","https://openalex.org/W1978302360","https://openalex.org/W1981353016","https://openalex.org/W1982850667","https://openalex.org/W2003000612","https://openalex.org/W2006000381","https://openalex.org/W2008378206","https://openalex.org/W2013056479","https://openalex.org/W2017370411","https://openalex.org/W2020633177","https://openalex.org/W2029918421","https://openalex.org/W2032148115","https://openalex.org/W2032778006","https://openalex.org/W2033156851","https://openalex.org/W2033158674","https://openalex.org/W2040269403","https://openalex.org/W2045239086","https://openalex.org/W2046138473","https://openalex.org/W2062961412","https://openalex.org/W2063329656","https://openalex.org/W2063437686","https://openalex.org/W2067569293","https://openalex.org/W2067848807","https://openalex.org/W2075149916","https://openalex.org/W2080198685","https://openalex.org/W2081390144","https://openalex.org/W2081770755","https://openalex.org/W2085563373","https://openalex.org/W2086250672","https://openalex.org/W2086957099","https://openalex.org/W2089061146","https://openalex.org/W2089916661","https://openalex.org/W2094710231","https://openalex.org/W2095320362","https://openalex.org/W2143981217","https://openalex.org/W2148941593","https://openalex.org/W2160445461","https://openalex.org/W2599058686","https://openalex.org/W3024289889","https://openalex.org/W3096378285","https://openalex.org/W4247608609","https://openalex.org/W4388225008"],"related_works":["https://openalex.org/W2045455311","https://openalex.org/W2061465457","https://openalex.org/W2079999790","https://openalex.org/W2160574357","https://openalex.org/W1972728721","https://openalex.org/W2951219311","https://openalex.org/W2379144747","https://openalex.org/W2044703699","https://openalex.org/W2325836926","https://openalex.org/W1984210309"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":2},{"year":2015,"cited_by_count":2},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":3}],"updated_date":"2026-10-02T10:15:12.560889","created_date":"2025-10-10T00:00:00"}
