{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,26]],"date-time":"2026-09-26T11:02:40Z","timestamp":1790420560260,"version":"4.1.0"},"reference-count":76,"publisher":"American Chemical Society (ACS)","issue":"23","license":[{"start":{"date-parts":[[2021,6,3]],"date-time":"2021-06-03T00:00:00Z","timestamp":1622678400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,6,3]],"date-time":"2021-06-03T00:00:00Z","timestamp":1622678400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,6,3]],"date-time":"2021-06-03T00:00:00Z","timestamp":1622678400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100013862","name":"Dr. Barbara Mez-Starck-Stiftung","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100013862","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001665","name":"Agence Nationale de la Recherche","doi-asserted-by":"publisher","award":["ANR-18-CE29-0011"],"award-info":[{"award-number":["ANR-18-CE29-0011"]}],"id":[{"id":"10.13039\/501100001665","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2021,6,17]]},"DOI":"10.1021\/acs.jpca.1c01733","type":"journal-article","created":{"date-parts":[[2021,6,3]],"date-time":"2021-06-03T12:33:15Z","timestamp":1622723595000},"page":"4986-4997","source":"Crossref","is-referenced-by-count":16,"title":["Equilibrium Structure in the Presence of Methyl Internal Rotation: Microwave Spectroscopy and Quantum Chemistry Study of the Two Conformers of 2-Acetylfuran"],"prefix":"10.1021","volume":"125","author":[{"given":"Christina","family":"Dindi\u0107","sequence":"first","affiliation":[{"name":"Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, 52074 Aachen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1068-0674","authenticated-orcid":true,"given":"Arne","family":"L\u00fcchow","sequence":"additional","affiliation":[{"name":"Institute of Physical Chemistry, RWTH Aachen University, Landoltweg 2, 52074 Aachen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Natalja","family":"Vogt","sequence":"additional","affiliation":[{"name":"Section of Chemical Information Systems, University of Ulm, Albert-Einstein-Allee 47, 89069 Ulm, Germany"},{"name":"Department of Chemistry, Lomonosov Moscow State University, 119991 Moscow, Russian Federation"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jean","family":"Demaison","sequence":"additional","affiliation":[{"name":"Section of Chemical Information Systems, University of Ulm, Albert-Einstein-Allee 47, 89069 Ulm, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5493-8905","authenticated-orcid":true,"given":"Ha Vinh Lam","family":"Nguyen","sequence":"additional","affiliation":[{"name":"Laboratoire Interuniversitaire des Syst\u00e8mes Atmosph\u00e9riques (LISA), CNRS UMR 7583, Universit\u00e9 Paris-Est Cr\u00e9teil, Universit\u00e9 de Paris, Institut Pierre Simon Laplace, 61 Avenue du G\u00e9n\u00e9ral de Gaulle, 94010 Cr\u00e9teil, France"},{"name":"Institut Universitaire de France (IUF), 1 rue Descartes, 75231 Paris Cedex 05, France"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2021,6,3]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/op700117q"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.3891\/acta.chem.scand.24-0662"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2016.05.078"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/ja00336a022"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1039\/c5cp02582f"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/jz200031w"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1351\/pac-rep-10-06-02"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jp2063595"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2006.09.003"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2020.127909"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23758"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2006.01.009"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2013.04.004"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2009.11.007"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.saa.2020.118709"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1063\/1.5091693"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1515\/zna-1996-0807"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1006\/jmsp.1994.1047"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1063\/1.474810"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2014.03.012"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2009.07.002"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2016.09.062"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2013.02.003"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2013.07.001"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2014.02.008"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/jp5075829"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2010.10.002"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201600265"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.8b06183"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201900400"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.9b11577"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.202000522"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.5142401"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201600757"},{"key":"ref35\/cit35","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Petersson, G. A.; Nakatsuji, H.; Li, X.; Caricato, M.; Marenich, A. V.; Bloino, J.; Janesko, B. G.; Gomperts, R.; Mennucci, B.; Hratchian, H. P.; Ortiz, J. V.; Izmaylov, A. F.; Sonnenberg, J. L.; Williams-Young, D.; Ding, F.; Lipparini, F.; Egidi, F.; Goings, J.; Peng, B.; Petrone, A.; Henderson, T.; Ranasinghe, D.; Zakrzewski, V. G.; Gao, J.; Rega, N.; Zheng, G.; Liang, W.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Throssell, K.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M. J.; Heyd, J. J.; Brothers, E. N.; Kudin, K. N.; Staroverov, V. N.; Keith, T. A.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A. P.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Millam, J. M.; Klene, M.; Adamo, C.; Cammi, R.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Farkas, O.; Foresman, J. B.; Fox, D. J. Gaussian 16, Revision B.01; Gaussian, Inc.: Wallingford CT, 2016."},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1063\/5.0025650"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2020.111356"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1139\/cjp-2019-0475"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1039\/c8cp04563a"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1063\/1.443164"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/s0009-2614(89)87395-6"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.1520138"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.1357225"},{"key":"ref44\/cit44","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-030-60492-9","volume-title":"Accurate Structure Determination of Free Molecules","author":"Demaison J.","year":"2020"},{"key":"ref45\/cit45","unstructured":"Werner, H.J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Sch\u00fctz, M.; Werner, H.J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Sch\u00fctz, M.; Celani, P.; Gy\u00f6rffy, W.; Kats, D.; Korona, T.; Lindh, R.; Mitrushenkov, A.; Rauhut, G.; Shamasundar, K. R.; Adler, T. B.; Amos, R. D.; Bennie, S. J.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Goll, E.; Hampel, C.; Hesselmann, A.; Hetzer, G.; Hrenar, T.; Jansen, G.; K\u00f6ppl, C.; Lee, S. J. R.; Liu, Y.; Lloyd, A. W.; Ma, Q.; Mata, R. A.; May, A. J.; McNicholas, S. J.; Meyer, W.; Miller, T. F.; Mura, M. E.; Nicklass, A.; O\u2019Neill, D. P.; Palmieri, P.; Peng, D.; Pfl\u00fcger, K.; Pitzer, R.; Reiher, M.; Shiozaki, T.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; Wang, M.; Welborn, M. MOLPRO, version 2019.1, a Package of Ab Initio Program, 2010; see https:\/\/www.molpro.net."},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.82"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.2148954"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20495"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.1147553"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1515\/zna-1990-0817"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1039\/d0cp02749a"},{"key":"ref52\/cit52","unstructured":"Kisiel, Z. PROSPE-Programs for ROtational SPEctrsocopy, available at http:\/\/www.ifpan.edu.pl\/~kisiel\/prospe.htm (accessed 25.02.2021)."},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1119\/1.1933338"},{"key":"ref54\/cit54","first-page":"157","volume":"2","author":"Costain C. C.","year":"1966","journal-title":"Trans. Am. Crystallogr. Assoc."},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1063\/1.435626"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1063\/1.4832899"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/jp400505v"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1063\/1.1459782"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1080\/00268970701765811"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2009.10.005"},{"key":"ref61\/cit61","volume-title":"Rotational Spectra and Molecular Structure","author":"Wollrab J. E.","year":"1967"},{"key":"ref62\/cit62","first-page":"29","volume-title":"Equilibrium Molecular Structures","author":"Demaison J.","year":"2011"},{"key":"ref63\/cit63","volume-title":"Microwave Molecular Spectra","volume":"18","author":"Gordy W.","year":"1984","edition":"3"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/ja00496a006"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2020.1728406"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1063\/1.5126126"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2860(74)85058-1"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.202000419"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1016\/j.saa.2021.119564"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1039\/c5cp03751d"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2852(89)90156-2"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/ja00411a005"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2012.06.005"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2017.11.007"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2011.04.001"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.8b00256"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.1c01733","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T11:54:04Z","timestamp":1682423644000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.1c01733"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,6,3]]},"references-count":76,"journal-issue":{"issue":"23","published-print":{"date-parts":[[2021,6,17]]}},"alternative-id":["10.1021\/acs.jpca.1c01733"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.1c01733","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,6,3]]}}}