{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T07:42:13Z","timestamp":1782891733566,"version":"3.54.5"},"reference-count":41,"publisher":"Royal Society of Chemistry (RSC)","issue":"15","license":[{"start":{"date-parts":[[2023,3,30]],"date-time":"2023-03-30T00:00:00Z","timestamp":1680134400000},"content-version":"vor","delay-in-days":88,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc\/3.0\/"}],"funder":[{"DOI":"10.13039\/100014806","name":"Elettra-Sincrotrone Trieste","doi-asserted-by":"publisher","award":["Proposal 20190524"],"award-info":[{"award-number":["Proposal 20190524"]}],"id":[{"id":"10.13039\/100014806","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001681","name":"Abdus Salam International Centre for Theoretical Physics","doi-asserted-by":"publisher","award":["TRIL fellowship"],"award-info":[{"award-number":["TRIL fellowship"]}],"id":[{"id":"10.13039\/501100001681","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005712","name":"University of Jordan","doi-asserted-by":"publisher","award":["Sabbatical leave (academic year 2022-2023)"],"award-info":[{"award-number":["Sabbatical leave (academic year 2022-2023)"]}],"id":[{"id":"10.13039\/501100005712","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100005712","name":"University of Jordan","doi-asserted-by":"publisher","award":["Scientific leave (academic year 2021-2022)"],"award-info":[{"award-number":["Scientific leave (academic year 2021-2022)"]}],"id":[{"id":"10.13039\/501100005712","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>We have investigated the electronic structure of isolated molecules of paracetamol, aspirin and ibuprofen using computational methods and benchmarked the results against valence and core photoelectron spectra.<\/jats:p>","DOI":"10.1039\/d2cp05810c","type":"journal-article","created":{"date-parts":[[2023,3,30]],"date-time":"2023-03-30T04:11:00Z","timestamp":1680149460000},"page":"10946-10955","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["A photoelectron spectroscopic investigation of aspirin, paracetamol and ibuprofen in the gas phase"],"prefix":"10.1039","volume":"25","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-2568-5507","authenticated-orcid":false,"given":"Hanan","family":"Sa\u2019adeh","sequence":"first","affiliation":[{"name":"Department of Physics, The University of Jordan, Amman, 11942, Jordan"},{"name":"Elettra Sincrotrone Trieste, in Area Science Park, 34149 Basovizza, Trieste, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5416-7354","authenticated-orcid":false,"given":"Kevin C.","family":"Prince","sequence":"additional","affiliation":[{"name":"Elettra Sincrotrone Trieste, in Area Science Park, 34149 Basovizza, Trieste, Italy"},{"name":"Department of Chemistry and Biotechnology, School of Science, Computing and Engineering Technologies, Swinburne University of Technology, Melbourne, Victoria 3122, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8585-626X","authenticated-orcid":false,"given":"Robert","family":"Richter","sequence":"additional","affiliation":[{"name":"Elettra Sincrotrone Trieste, in Area Science Park, 34149 Basovizza, Trieste, Italy"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Vladislav","family":"Vasilyev","sequence":"additional","affiliation":[{"name":"National Computational Infrastructure, Australian National University, Canberra, ACT 0200, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Delano P.","family":"Chong","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of British Columbia, Canada"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6584-0516","authenticated-orcid":false,"given":"Feng","family":"Wang","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biotechnology, School of Science, Computing and Engineering Technologies, Swinburne University of Technology, Melbourne, Victoria 3122, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2023]]},"reference":[{"key":"D2CP05810C\/cit1\/1","doi-asserted-by":"publisher","first-page":"2S","DOI":"10.1016\/S0002-9343(97)00203-9","volume":"104","author":"Vane","year":"1998","journal-title":"Am. J. Med."},{"key":"D2CP05810C\/cit2\/1","doi-asserted-by":"publisher","first-page":"1488","DOI":"10.1021\/ci500151f","volume":"54","author":"Shamsudin Khan","year":"2014","journal-title":"J. Chem. Inf. Model."},{"key":"D2CP05810C\/cit3\/1","doi-asserted-by":"publisher","first-page":"110","DOI":"10.1016\/j.saa.2013.04.012","volume":"112","author":"Novak","year":"2013","journal-title":"Spectrochim. Acta, Part A"},{"key":"D2CP05810C\/cit4\/1","doi-asserted-by":"publisher","first-page":"771","DOI":"10.1021\/jo001241s","volume":"66","author":"Glaser","year":"2001","journal-title":"J. Org. Chem."},{"key":"D2CP05810C\/cit5\/1","doi-asserted-by":"publisher","first-page":"383","DOI":"10.3906\/kim-1112-16","volume":"36","author":"Yurtsever","year":"2012","journal-title":"Turk. J. Chem."},{"key":"D2CP05810C\/cit6\/1","doi-asserted-by":"publisher","first-page":"1375","DOI":"10.1002\/anie.201106621","volume":"51","author":"Cabezas","year":"2012","journal-title":"Angew. Chem., Int. Ed."},{"key":"D2CP05810C\/cit7\/1","doi-asserted-by":"publisher","first-page":"5065","DOI":"10.1021\/ja00796a058","volume":"95","author":"B\u00fcrgi","year":"1973","journal-title":"J. Am. Chem. Soc."},{"key":"D2CP05810C\/cit8\/1","doi-asserted-by":"publisher","first-page":"4157","DOI":"10.1039\/B923202H","volume":"12","author":"Beames","year":"2010","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D2CP05810C\/cit9\/1","doi-asserted-by":"publisher","first-page":"16537","DOI":"10.1039\/C1CP21999E","volume":"13","author":"Lee","year":"2011","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D2CP05810C\/cit10\/1","doi-asserted-by":"publisher","first-page":"36","DOI":"10.1016\/j.cplett.2013.07.018","volume":"581","author":"Sohn","year":"2013","journal-title":"Chem. Phys. Lett."},{"key":"D2CP05810C\/cit11\/1","doi-asserted-by":"publisher","first-page":"13275","DOI":"10.1021\/jp404581z","volume":"117","author":"Varela","year":"2013","journal-title":"J. Phys. Chem. A"},{"key":"D2CP05810C\/cit12\/1","doi-asserted-by":"publisher","first-page":"34","DOI":"10.1016\/j.molstruc.2005.08.018","volume":"783","author":"Jubert","year":"2006","journal-title":"J. Mol. Struct."},{"key":"D2CP05810C\/cit13\/1","doi-asserted-by":"publisher","first-page":"845","DOI":"10.1002\/jps.21007","volume":"97","author":"Vueba","year":"2008","journal-title":"J. Pharm. Sci."},{"key":"D2CP05810C\/cit14\/1","doi-asserted-by":"publisher","first-page":"2587","DOI":"10.1002\/jcc.21838","volume":"32","author":"Fu","year":"2011","journal-title":"J. Comput. Chem."},{"key":"D2CP05810C\/cit15\/1","doi-asserted-by":"publisher","first-page":"201","DOI":"10.1016\/j.saa.2011.12.068","volume":"89","author":"Liu","year":"2012","journal-title":"Spectrochim. Acta, Part A"},{"key":"D2CP05810C\/cit16\/1","doi-asserted-by":"publisher","first-page":"4538","DOI":"10.1039\/C4CP05529B","volume":"17","author":"Betz","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D2CP05810C\/cit17\/1","doi-asserted-by":"publisher","first-page":"1299","DOI":"10.1002\/cmdc.200800133","volume":"3","author":"Blaazer","year":"2008","journal-title":"ChemMedChem"},{"key":"D2CP05810C\/cit18\/1","doi-asserted-by":"publisher","first-page":"645","DOI":"10.1038\/226645a0","volume":"226","author":"Kang","year":"1970","journal-title":"Nature"},{"key":"D2CP05810C\/cit19\/1","doi-asserted-by":"crossref","first-page":"62","DOI":"10.1073\/pnas.67.1.62","volume":"67","author":"Kang","year":"1970","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"D2CP05810C\/cit20\/1","doi-asserted-by":"publisher","first-page":"447","DOI":"10.1002\/qsar.19970160603","volume":"16","author":"Beuerle","year":"1997","journal-title":"Quant. Struct.-Act. Relat."},{"key":"D2CP05810C\/cit21\/1","doi-asserted-by":"publisher","first-page":"1385","DOI":"10.1071\/CH9951385","volume":"48","author":"Clare","year":"1995","journal-title":"Austr. J. Chem."},{"key":"D2CP05810C\/cit22\/1","doi-asserted-by":"publisher","first-page":"295","DOI":"10.1080\/02791072.2001.10400577","volume":"33","author":"Abdou","year":"2001","journal-title":"J. Psychoact. Drugs"},{"key":"D2CP05810C\/cit23\/1","doi-asserted-by":"publisher","first-page":"7477","DOI":"10.1021\/ja00519a005","volume":"101","author":"Klasinc","year":"1979","journal-title":"J. Am. Chem. Soc."},{"key":"D2CP05810C\/cit24\/1","doi-asserted-by":"publisher","first-page":"251","DOI":"10.1002\/qua.560300824","volume":"13","author":"Klasinc","year":"1986","journal-title":"Int. J. Quantum Chem., Quantum Biol. Symp."},{"key":"D2CP05810C\/cit25\/1","doi-asserted-by":"publisher","first-page":"161","DOI":"10.1016\/0368-2048(76)80018-7","volume":"8","author":"Klasinc","year":"1976","journal-title":"J. Electron Spectrosc. Relat. Phenom."},{"key":"D2CP05810C\/cit26\/1","volume-title":"Handbook of He(i) Photoelectron Spectra of Fundamental Organic Molecules","author":"Kimura","year":"1981","unstructured":"K.Kimura ,  S.Katsumata ,  Y.Achiba ,  T.Yamazaki  and  S.Iwata ,  Handbook of He(i) Photoelectron Spectra of Fundamental Organic Molecules ,  Japan Scientific Societies Press ,  Tokyo, Japan ,  1981"},{"key":"D2CP05810C\/cit27\/1","doi-asserted-by":"publisher","first-page":"57","DOI":"10.1016\/S0368-2048(01)00321-8","volume":"122","author":"Myrseth","year":"2002","journal-title":"J. Electron Spectrosc. Relat. Phenom."},{"key":"D2CP05810C\/cit28\/1","doi-asserted-by":"publisher","first-page":"1081","DOI":"10.1016\/0368-2048(74)85066-8","volume":"5","author":"Thomas","year":"1974","journal-title":"J. Electron Spectrosc. Relat. Phenom."},{"key":"D2CP05810C\/cit29\/1","doi-asserted-by":"publisher","first-page":"54","DOI":"10.1016\/j.elspec.2006.10.002","volume":"155","author":"Hatamoto","year":"2007","journal-title":"J. Electron Spectrosc. Relat. Phenom."},{"key":"D2CP05810C\/cit30\/1","doi-asserted-by":"publisher","first-page":"e26765","DOI":"10.1002\/qua.26765","volume":"121","author":"Wang","year":"2021","journal-title":"Int. J. Quantum Chem."},{"key":"D2CP05810C\/cit32\/1","doi-asserted-by":"publisher","first-page":"1005","DOI":"10.1139\/v96-112","volume":"74","author":"Chong","year":"1996","journal-title":"Canadian J. Chem."},{"key":"D2CP05810C\/cit33\/1","doi-asserted-by":"publisher","first-page":"931","DOI":"10.1002\/jcc.1056","volume":"22","author":"te Velde","year":"2001","journal-title":"J. Comput. Chem."},{"key":"D2CP05810C\/cit34\/1","doi-asserted-by":"publisher","first-page":"697","DOI":"10.1139\/cjc-2019-0082","volume":"97","author":"Chong","year":"2019","journal-title":"Canadian J. Chem."},{"key":"D2CP05810C\/cit35\/1","doi-asserted-by":"publisher","first-page":"7806","DOI":"10.1021\/jp803017y","volume":"112","author":"Feyer","year":"2008","journal-title":"J. Phys. Chem. A"},{"key":"D2CP05810C\/cit36\/1","doi-asserted-by":"publisher","first-page":"10998","DOI":"10.1021\/jp075384v","volume":"111","author":"Plekan","year":"2007","journal-title":"J. Phys. Chem. A"},{"key":"D2CP05810C\/cit37\/1","doi-asserted-by":"publisher","first-page":"9877","DOI":"10.1021\/acs.jpca.1c07523","volume":"125","author":"Hill","year":"2021","journal-title":"J. Phys. Chem. A"},{"key":"D2CP05810C\/cit38\/1","doi-asserted-by":"publisher","first-page":"134312","DOI":"10.1063\/1.5048691","volume":"149","author":"Islam","year":"2018","journal-title":"J. Chem. Phys."},{"key":"D2CP05810C\/cit39\/1","doi-asserted-by":"publisher","first-page":"334","DOI":"10.1134\/S0030400X09030047","volume":"106","author":"Tseplin","year":"2009","journal-title":"Opt. Spectrosc."},{"key":"D2CP05810C\/cit41\/1","doi-asserted-by":"publisher","first-page":"433","DOI":"10.1016\/0092-640X(84)90011-1","volume":"31","author":"Jolly","year":"1984","journal-title":"At. Data Nucl. Data Tables"},{"key":"D2CP05810C\/cit42\/1","doi-asserted-by":"publisher","first-page":"244003","DOI":"10.1088\/0953-4075\/48\/24\/244003","volume":"48","author":"Zhaunerchyk","year":"2015","journal-title":"J. Phys. B: At., Mol. Opt. Phys."},{"key":"D2CP05810C\/cit43\/1","author":"Mucke","unstructured":"M.Mucke ,  et al. , in preparation"}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2023\/CP\/D2CP05810C","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T05:51:19Z","timestamp":1782885079000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/25\/15\/10946-10955\/763219"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023]]},"references-count":41,"journal-issue":{"issue":"15","published-print":{"date-parts":[[2023,4,12]]}},"URL":"https:\/\/doi.org\/10.1039\/d2cp05810c","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023]]}}}