{"id":"https://openalex.org/W2013197285","doi":"https://doi.org/10.1016/j.ijms.2004.10.002","title":"Ab initio molecular orbital investigation of SiOH+\u2013XH, SiOH+\u2013X2 and SiOH+\u2013XY(YX) (X=Y=F, Cl and Br) proton-bond complexes","display_name":"Ab initio molecular orbital investigation of SiOH+\u2013XH, SiOH+\u2013X2 and SiOH+\u2013XY(YX) (X=Y=F, Cl and Br) proton-bond complexes","publication_year":2004,"publication_date":"2004-11-12","ids":{"openalex":"https://openalex.org/W2013197285","doi":"https://doi.org/10.1016/j.ijms.2004.10.002","mag":"2013197285"},"language":"en","primary_location":{"id":"doi:10.1016/j.ijms.2004.10.002","doi":"https://doi.org/10.1016/j.ijms.2004.10.002","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.ijms.2004.10.002","pdf_url":null,"source":{"id":"https://openalex.org/S108264783","display_name":"International Journal of Mass Spectrometry","issn_l":"1387-3806","issn":["1387-3806","1873-2798"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-2"],"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":"International Journal of Mass Spectrometry","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/A5023874770","display_name":"Mohammad Solimannejad","orcid":"https://orcid.org/0000-0003-0617-8689","observed_orcids":["https://orcid.org/0000-0003-0617-8689"]},"institutions":[{"id":"https://openalex.org/I35510649","display_name":"Arak University","ror":"https://ror.org/00ngrq502","country_code":"IR","type":"education","lineage":["https://openalex.org/I35510649"]}],"countries":["IR"],"is_corresponding":true,"raw_author_name":"Mohammad Solimannejad","raw_affiliation_strings":["Quantum Chemistry Group, Department of Chemistry, Arak University, 38156-879 Arak, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Quantum Chemistry Group, Department of Chemistry, Arak University, 38156-879 Arak, Iran","institution_ids":["https://openalex.org/I35510649"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084245792","display_name":"Masoud Haratian","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I35510649","display_name":"Arak University","ror":"https://ror.org/00ngrq502","country_code":"IR","type":"education","lineage":["https://openalex.org/I35510649"]}],"countries":["IR"],"is_corresponding":false,"raw_author_name":"Masoud Haratian","raw_affiliation_strings":["Quantum Chemistry Group, Department of Chemistry, Arak University, 38156-879 Arak, Iran"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Quantum Chemistry Group, Department of Chemistry, Arak University, 38156-879 Arak, Iran","institution_ids":["https://openalex.org/I35510649"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5108552829","display_name":"Abderrahim Boutalib","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I119856527","display_name":"Cadi Ayyad University","ror":"https://ror.org/04xf6nm78","country_code":"MA","type":"education","lineage":["https://openalex.org/I119856527"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Abderrahim Boutalib","raw_affiliation_strings":["D\u00e9partement de Chimie, Universit\u00e9 Cadi Ayyad, Facult\u00e9 des Sciences Semlalia, B.P. 2390 Marrakech, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"D\u00e9partement de Chimie, Universit\u00e9 Cadi Ayyad, Facult\u00e9 des Sciences Semlalia, B.P. 2390 Marrakech, Morocco","institution_ids":["https://openalex.org/I119856527"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5023874770"],"corresponding_institution_ids":["https://openalex.org/I35510649"],"apc_list":{"value":4110,"currency":"USD","value_usd":4110},"apc_paid":null,"fwci":0.2703,"has_fulltext":false,"cited_by_count":2,"citation_normalized_percentile":{"value":0.43996436,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"240","issue":"1","first_page":"1","last_page":"5"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.8198000192642212,"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"}},"topics":[{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.8198000192642212,"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/T10798","display_name":"Crystallography and molecular interactions","score":0.06710000336170197,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"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/T10002","display_name":"Advanced Chemical Physics Studies","score":0.03020000085234642,"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/proton-transfer","display_name":"proton transfer","score":0.5090000033378601},{"id":"https://openalex.org/keywords/complex-stability","display_name":"complex stability","score":0.5609999895095825},{"id":"https://openalex.org/keywords/intermolecular-charge-transfer","display_name":"intermolecular charge transfer","score":0.9599999785423279},{"id":"https://openalex.org/keywords/nbo-analysis","display_name":"natural bond orbital analysis","score":0.8790000081062317}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9864307045936584},{"id":"https://openalex.org/C130188946","wikidata":"https://www.wikidata.org/wiki/Q4391470","display_name":"Natural bond orbital","level":3,"score":0.6250946521759033},{"id":"https://openalex.org/C166950319","wikidata":"https://www.wikidata.org/wiki/Q245031","display_name":"Intermolecular force","level":3,"score":0.5825654864311218},{"id":"https://openalex.org/C54516573","wikidata":"https://www.wikidata.org/wiki/Q2294","display_name":"Proton","level":2,"score":0.4796924293041229},{"id":"https://openalex.org/C53323650","wikidata":"https://www.wikidata.org/wiki/Q1118362","display_name":"Proton affinity","level":4,"score":0.47402527928352356},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.43335187435150146},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.37387874722480774},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.36808598041534424},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.1669611930847168},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.15156841278076172},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.15021824836730957},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.1267113983631134},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.06627026200294495},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.ijms.2004.10.002","doi":"https://doi.org/10.1016/j.ijms.2004.10.002","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.ijms.2004.10.002","pdf_url":null,"source":{"id":"https://openalex.org/S108264783","display_name":"International Journal of Mass Spectrometry","issn_l":"1387-3806","issn":["1387-3806","1873-2798"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-b","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-2"],"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":"International Journal of Mass Spectrometry","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":28,"referenced_works":["https://openalex.org/W1552088950","https://openalex.org/W1553556672","https://openalex.org/W1554362181","https://openalex.org/W1654530914","https://openalex.org/W1660972492","https://openalex.org/W1967814787","https://openalex.org/W1971299301","https://openalex.org/W1975185605","https://openalex.org/W1979515235","https://openalex.org/W1983943580","https://openalex.org/W1992320249","https://openalex.org/W2008767462","https://openalex.org/W2018452166","https://openalex.org/W2025706097","https://openalex.org/W2032888000","https://openalex.org/W2038767330","https://openalex.org/W2039093582","https://openalex.org/W2048846760","https://openalex.org/W2068438002","https://openalex.org/W2070011765","https://openalex.org/W2071692080","https://openalex.org/W2071770902","https://openalex.org/W2074565099","https://openalex.org/W2081702364","https://openalex.org/W2081827158","https://openalex.org/W2083632804","https://openalex.org/W2113922669","https://openalex.org/W4237793428"],"related_works":["https://openalex.org/W2079897975","https://openalex.org/W1983943580","https://openalex.org/W1970081811","https://openalex.org/W2911175482","https://openalex.org/W2017747340","https://openalex.org/W2028246826","https://openalex.org/W2057343758","https://openalex.org/W2273925734","https://openalex.org/W2051999724","https://openalex.org/W2064949901"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-10-30T12:39:25.321706","created_date":"2016-06-24T00:00:00"}
