{"id":"https://openalex.org/W7160669365","doi":"https://doi.org/10.1145/3803833.3803842","title":"The Ion Mobility Calculation of Water Clusters forming the Reactant Ions in Ion Mobility Spectrometry","display_name":"The Ion Mobility Calculation of Water Clusters forming the Reactant Ions in Ion Mobility Spectrometry","publication_year":2026,"publication_date":"2026-02-06","ids":{"openalex":"https://openalex.org/W7160669365","doi":"https://doi.org/10.1145/3803833.3803842"},"language":null,"primary_location":{"id":"doi:10.1145/3803833.3803842","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3803833.3803842","pdf_url":null,"source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 2026 15th International Conference on Informatics, Environment, Energy and Applications","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1145/3803833.3803842","any_repository_has_fulltext":null},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5135685178","display_name":"Mohamed Helmy","orcid":"https://orcid.org/0009-0001-6503-0177"},"institutions":[{"id":"https://openalex.org/I96823368","display_name":"German University in Cairo","ror":"https://ror.org/03rjt0z37","country_code":"EG","type":"education","lineage":["https://openalex.org/I96823368"]}],"countries":["EG"],"is_corresponding":true,"raw_author_name":"Mohamed Helmy","raw_affiliation_strings":["The German University in Cairo, Cairo, Egypt"],"raw_orcid":"https://orcid.org/0009-0001-6503-0177","affiliations":[{"raw_affiliation_string":"The German University in Cairo, Cairo, Egypt","institution_ids":["https://openalex.org/I96823368"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5083857409","display_name":"Frank Gunzer","orcid":"https://orcid.org/0000-0002-4310-4948"},"institutions":[{"id":"https://openalex.org/I96823368","display_name":"German University in Cairo","ror":"https://ror.org/03rjt0z37","country_code":"EG","type":"education","lineage":["https://openalex.org/I96823368"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Frank Gunzer","raw_affiliation_strings":["The German University in Cairo, Cairo, Egypt"],"raw_orcid":"https://orcid.org/0000-0002-4310-4948","affiliations":[{"raw_affiliation_string":"The German University in Cairo, Cairo, Egypt","institution_ids":["https://openalex.org/I96823368"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5135685178"],"corresponding_institution_ids":["https://openalex.org/I96823368"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.91475691,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"53","last_page":"55"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9523000121116638,"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":0.9523000121116638,"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/T12166","display_name":"Ion-surface interactions and analysis","score":0.026000000536441803,"subfield":{"id":"https://openalex.org/subfields/2206","display_name":"Computational Mechanics"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.0032999999821186066,"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/ion-mobility-spectrometry","display_name":"Ion-mobility spectrometry","score":0.8303999900817871},{"id":"https://openalex.org/keywords/ion","display_name":"Ion","score":0.7695000171661377},{"id":"https://openalex.org/keywords/analyte","display_name":"Analyte","score":0.5722000002861023},{"id":"https://openalex.org/keywords/ionization","display_name":"Ionization","score":0.5612999796867371},{"id":"https://openalex.org/keywords/mass-spectrometry","display_name":"Mass spectrometry","score":0.5450000166893005},{"id":"https://openalex.org/keywords/protonation","display_name":"Protonation","score":0.44339999556541443}],"concepts":[{"id":"https://openalex.org/C15213710","wikidata":"https://www.wikidata.org/wiki/Q904207","display_name":"Ion-mobility spectrometry","level":3,"score":0.8303999900817871},{"id":"https://openalex.org/C145148216","wikidata":"https://www.wikidata.org/wiki/Q36496","display_name":"Ion","level":2,"score":0.7695000171661377},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.578000009059906},{"id":"https://openalex.org/C10390740","wikidata":"https://www.wikidata.org/wiki/Q2282401","display_name":"Analyte","level":2,"score":0.5722000002861023},{"id":"https://openalex.org/C198291218","wikidata":"https://www.wikidata.org/wiki/Q190382","display_name":"Ionization","level":3,"score":0.5612999796867371},{"id":"https://openalex.org/C162356407","wikidata":"https://www.wikidata.org/wiki/Q180809","display_name":"Mass spectrometry","level":2,"score":0.5450000166893005},{"id":"https://openalex.org/C30095370","wikidata":"https://www.wikidata.org/wiki/Q899488","display_name":"Protonation","level":3,"score":0.44339999556541443},{"id":"https://openalex.org/C13662910","wikidata":"https://www.wikidata.org/wiki/Q193139","display_name":"Trajectory","level":2,"score":0.4413999915122986},{"id":"https://openalex.org/C113196181","wikidata":"https://www.wikidata.org/wiki/Q485223","display_name":"Analytical Chemistry (journal)","level":2,"score":0.3718999922275543},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.36410000920295715},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3287000060081482},{"id":"https://openalex.org/C184779094","wikidata":"https://www.wikidata.org/wiki/Q26383","display_name":"Atomic physics","level":1,"score":0.29510000348091125},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.2921000123023987},{"id":"https://openalex.org/C27426343","wikidata":"https://www.wikidata.org/wiki/Q6062819","display_name":"Ion-mobility spectrometry\u2013mass spectrometry","level":5,"score":0.27459999918937683},{"id":"https://openalex.org/C159467904","wikidata":"https://www.wikidata.org/wiki/Q2001702","display_name":"Chemical physics","level":1,"score":0.2728999853134155}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1145/3803833.3803842","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3803833.3803842","pdf_url":null,"source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 2026 15th International Conference on Informatics, Environment, Energy and Applications","raw_type":"proceedings-article"}],"best_oa_location":{"id":"doi:10.1145/3803833.3803842","is_oa":true,"landing_page_url":"https://doi.org/10.1145/3803833.3803842","pdf_url":null,"source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of the 2026 15th International Conference on Informatics, Environment, Energy and Applications","raw_type":"proceedings-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/6","score":0.6600092649459839,"display_name":"Clean water and sanitation"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":7,"referenced_works":["https://openalex.org/W2405337835","https://openalex.org/W2911997094","https://openalex.org/W3021988445","https://openalex.org/W3211400377","https://openalex.org/W4381488462","https://openalex.org/W4389663703","https://openalex.org/W4402021385"],"related_works":[],"abstract_inverted_index":{"In":[0,26],"Ion":[1],"Mobility":[2],"Spectrometry":[3],"(IMS),":[4],"the":[5,10,13,74],"reactant":[6],"ions":[7],"responsible":[8],"for":[9,39],"ionization":[11],"of":[12],"analyte":[14],"are":[15,22,70],"protonated":[16],"water":[17],"clusters.":[18],"Their":[19],"experimental":[20,75],"values":[21,68],"quite":[23],"well":[24],"known.":[25],"this":[27],"contribution":[28],"we":[29],"have":[30],"used":[31],"a":[32],"new":[33],"approach":[34],"combining":[35],"tight":[36],"binding":[37],"methods":[38],"ion":[40,53],"trajectory":[41,61],"calculations,":[42],"followed":[43],"by":[44],"structure":[45],"optimizations":[46],"based":[47,56],"on":[48,57],"density":[49],"functional":[50],"theory,":[51],"and":[52,60],"mobility":[54],"calculations":[55,62],"collision":[58],"dynamics":[59],"in":[63],"order":[64],"to":[65],"obtain":[66],"theoretic":[67],"that":[69],"then":[71],"compared":[72],"with":[73],"values.":[76]},"counts_by_year":[],"updated_date":"2026-05-09T06:16:02.287421","created_date":"2026-05-09T00:00:00"}