{"id":"https://openalex.org/W2950458752","doi":"https://doi.org/10.1016/j.molstruc.2019.06.064","title":"Investigation of torsional potentials, hindered rotation, molecular structure and vibrational properties of some biphenyl carboxaldehydes using spectroscopic techniques and density functional formalism","display_name":"Investigation of torsional potentials, hindered rotation, molecular structure and vibrational properties of some biphenyl carboxaldehydes using spectroscopic techniques and density functional formalism","publication_year":2019,"publication_date":"2019-06-19","ids":{"openalex":"https://openalex.org/W2950458752","doi":"https://doi.org/10.1016/j.molstruc.2019.06.064","mag":"2950458752"},"language":"en","primary_location":{"id":"doi:10.1016/j.molstruc.2019.06.064","doi":"https://doi.org/10.1016/j.molstruc.2019.06.064","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2019.06.064","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","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":"Journal of Molecular Structure","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5070818341","display_name":"Kanugula Srishailam","orcid":"https://orcid.org/0000-0002-9791-8453","observed_orcids":["https://orcid.org/0000-0002-9791-8453"]},"institutions":[{"id":"https://openalex.org/I4405263155","display_name":"SR University","ror":"https://ror.org/039t32v17","country_code":"IN","type":"education","lineage":["https://openalex.org/I4405263155"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"K. Srishailam","raw_affiliation_strings":["Department of Physics, S R Engineering College (Autonomous), Warangal, 506371, Telangana, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, S R Engineering College (Autonomous), Warangal, 506371, Telangana, India","institution_ids":["https://openalex.org/I4405263155"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081349440","display_name":"B. Venkatram Reddy","orcid":"https://orcid.org/0000-0001-6516-7731","observed_orcids":["https://orcid.org/0000-0001-6516-7731"]},"institutions":[{"id":"https://openalex.org/I28210344","display_name":"Kakatiya University","ror":"https://ror.org/012zpbg81","country_code":"IN","type":"education","lineage":["https://openalex.org/I28210344"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"B. Venkatram Reddy","raw_affiliation_strings":["Department of Physics, Kakatiya University, Warangal, 506009, Telangana, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Kakatiya University, Warangal, 506009, Telangana, India","institution_ids":["https://openalex.org/I28210344"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5108430588","display_name":"G. Ramana Rao","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I28210344","display_name":"Kakatiya University","ror":"https://ror.org/012zpbg81","country_code":"IN","type":"education","lineage":["https://openalex.org/I28210344"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"G. Ramana Rao","raw_affiliation_strings":["Department of Physics, Kakatiya University, Warangal, 506009, Telangana, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physics, Kakatiya University, Warangal, 506009, Telangana, India","institution_ids":["https://openalex.org/I28210344"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5081349440"],"corresponding_institution_ids":["https://openalex.org/I28210344"],"apc_list":{"value":2600,"currency":"USD","value_usd":2600},"apc_paid":null,"fwci":0.7868,"has_fulltext":false,"cited_by_count":16,"citation_normalized_percentile":{"value":0.65128089,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":97},"biblio":{"volume":"1196","issue":null,"first_page":"139","last_page":"161"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11025","display_name":"Nonlinear Optical Materials Research","score":0.4641000032424927,"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":0.4641000032424927,"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/T11177","display_name":"Spectroscopy and Quantum Chemical Studies","score":0.2101999968290329,"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":0.14900000393390656,"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/torsional-potential","display_name":"torsional potential","score":0.8790000081062317},{"id":"https://openalex.org/keywords/hindered-rotation","display_name":"hindered rotation","score":0.9710000157356262},{"id":"https://openalex.org/keywords/vibrational-frequencies","display_name":"vibrational frequencies","score":0.6140000224113464},{"id":"https://openalex.org/keywords/potential-energy-distribution","display_name":"potential energy distribution","score":0.824999988079071},{"id":"https://openalex.org/keywords/vibrational-assignment","display_name":"vibrational assignment","score":0.8870000243186951},{"id":"https://openalex.org/keywords/nmr-chemical-shifts","display_name":"NMR chemical shifts","score":0.7639999985694885},{"id":"https://openalex.org/keywords/intermolecular-hydrogen-bonding","display_name":"intermolecular hydrogen bonding","score":0.6700000166893005},{"id":"https://openalex.org/keywords/dimers","display_name":"dimers","score":0.6389999985694885},{"id":"https://openalex.org/keywords/molecular-structure","display_name":"molecular structure","score":0.5770000219345093}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8783053755760193},{"id":"https://openalex.org/C111429119","wikidata":"https://www.wikidata.org/wiki/Q899127","display_name":"Chemical shift","level":2,"score":0.6397415399551392},{"id":"https://openalex.org/C40003534","wikidata":"https://www.wikidata.org/wiki/Q862228","display_name":"Raman spectroscopy","level":2,"score":0.6149598360061646},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5975971221923828},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.5796123743057251},{"id":"https://openalex.org/C2780591471","wikidata":"https://www.wikidata.org/wiki/Q410915","display_name":"Biphenyl","level":2,"score":0.4981248378753662},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.4931025207042694},{"id":"https://openalex.org/C158355884","wikidata":"https://www.wikidata.org/wiki/Q11388","display_name":"Infrared","level":2,"score":0.4855780005455017},{"id":"https://openalex.org/C41999313","wikidata":"https://www.wikidata.org/wiki/Q489328","display_name":"Molecular physics","level":1,"score":0.4846961796283722},{"id":"https://openalex.org/C65956243","wikidata":"https://www.wikidata.org/wiki/Q2664086","display_name":"Basis set","level":3,"score":0.4792909026145935},{"id":"https://openalex.org/C153642686","wikidata":"https://www.wikidata.org/wiki/Q70906","display_name":"Infrared spectroscopy","level":2,"score":0.45681843161582947},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.44792720675468445},{"id":"https://openalex.org/C168900304","wikidata":"https://www.wikidata.org/wiki/Q171407","display_name":"Valence (chemistry)","level":2,"score":0.4452204704284668},{"id":"https://openalex.org/C193547582","wikidata":"https://www.wikidata.org/wiki/Q911331","display_name":"Molecular geometry","level":3,"score":0.4441305696964264},{"id":"https://openalex.org/C4839761","wikidata":"https://www.wikidata.org/wiki/Q212111","display_name":"Spectral line","level":2,"score":0.4349377453327179},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.2909427285194397},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.07458561658859253},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.07373440265655518},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.07011517882347107}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.molstruc.2019.06.064","doi":"https://doi.org/10.1016/j.molstruc.2019.06.064","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2019.06.064","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","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":"Journal of Molecular Structure","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320320767","display_name":"University Grants Commission","ror":"https://ror.org/04p800546"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":88,"referenced_works":["https://openalex.org/W625996659","https://openalex.org/W1501283731","https://openalex.org/W1575789087","https://openalex.org/W1608618183","https://openalex.org/W1964131553","https://openalex.org/W1966235871","https://openalex.org/W1967161585","https://openalex.org/W1968493881","https://openalex.org/W1969195967","https://openalex.org/W1970424176","https://openalex.org/W1971249240","https://openalex.org/W1971315381","https://openalex.org/W1973600363","https://openalex.org/W1973907075","https://openalex.org/W1973998183","https://openalex.org/W1974383200","https://openalex.org/W1975034651","https://openalex.org/W1978768222","https://openalex.org/W1979850841","https://openalex.org/W1980537126","https://openalex.org/W1982838568","https://openalex.org/W1985419321","https://openalex.org/W1985743052","https://openalex.org/W1985756650","https://openalex.org/W1986721488","https://openalex.org/W1986759599","https://openalex.org/W1987915549","https://openalex.org/W1989458676","https://openalex.org/W1990135744","https://openalex.org/W1992235100","https://openalex.org/W1998382067","https://openalex.org/W1998523380","https://openalex.org/W1999225355","https://openalex.org/W1999479745","https://openalex.org/W2001281234","https://openalex.org/W2007632709","https://openalex.org/W2010697414","https://openalex.org/W2010799271","https://openalex.org/W2014698996","https://openalex.org/W2019123141","https://openalex.org/W2021059415","https://openalex.org/W2021377183","https://openalex.org/W2022692859","https://openalex.org/W2023271753","https://openalex.org/W2023378010","https://openalex.org/W2025669778","https://openalex.org/W2026969405","https://openalex.org/W2028091184","https://openalex.org/W2029961407","https://openalex.org/W2030368115","https://openalex.org/W2032592533","https://openalex.org/W2033860076","https://openalex.org/W2037521703","https://openalex.org/W2040761565","https://openalex.org/W2043716537","https://openalex.org/W2046424037","https://openalex.org/W2047377517","https://openalex.org/W2050302690","https://openalex.org/W2054065799","https://openalex.org/W2054679865","https://openalex.org/W2057922237","https://openalex.org/W2067763264","https://openalex.org/W2068363410","https://openalex.org/W2072446617","https://openalex.org/W2073805876","https://openalex.org/W2078875292","https://openalex.org/W2079283841","https://openalex.org/W2087966799","https://openalex.org/W2090511551","https://openalex.org/W2093826245","https://openalex.org/W2108515421","https://openalex.org/W2128169009","https://openalex.org/W2131557488","https://openalex.org/W2135647269","https://openalex.org/W2143981217","https://openalex.org/W2148941593","https://openalex.org/W2157019601","https://openalex.org/W2164750660","https://openalex.org/W2332041736","https://openalex.org/W2335473127","https://openalex.org/W2336323273","https://openalex.org/W2395817013","https://openalex.org/W2950211982","https://openalex.org/W2952401549","https://openalex.org/W3004640009","https://openalex.org/W4285719527","https://openalex.org/W6658908701","https://openalex.org/W6763876732"],"related_works":["https://openalex.org/W2973825412","https://openalex.org/W2954428101","https://openalex.org/W1978344179","https://openalex.org/W2303428230","https://openalex.org/W4319079317","https://openalex.org/W2042766504","https://openalex.org/W2007557435","https://openalex.org/W2107107453","https://openalex.org/W2073649082","https://openalex.org/W2074881670"],"abstract_inverted_index":null,"counts_by_year":[{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":4},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":4}],"updated_date":"2026-10-16T09:59:22.235173","created_date":"2019-06-27T00:00:00"}