{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,11]],"date-time":"2026-04-11T01:18:49Z","timestamp":1775870329314,"version":"3.50.1"},"reference-count":61,"publisher":"American Chemical Society (ACS)","issue":"48","license":[{"start":{"date-parts":[[2021,11,30]],"date-time":"2021-11-30T00:00:00Z","timestamp":1638230400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2021,11,30]],"date-time":"2021-11-30T00:00:00Z","timestamp":1638230400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2021,11,30]],"date-time":"2021-11-30T00:00:00Z","timestamp":1638230400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100013020","name":"Compute Canada","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100013020","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001804","name":"Canada Research Chairs","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100001804","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000190","name":"University of Alberta","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000190","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100000038","name":"Natural Sciences and Engineering Research Council of Canada","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100000038","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2021,12,9]]},"DOI":"10.1021\/acs.jpca.1c09058","type":"journal-article","created":{"date-parts":[[2021,11,30]],"date-time":"2021-11-30T16:15:20Z","timestamp":1638288920000},"page":"10401-10409","source":"Crossref","is-referenced-by-count":10,"title":["Higher-Energy Hexafluoroisopropanol\u00b7\u00b7\u00b7Water Isomer and Its Large Amplitude Motions: Rotational Spectra and DFT Calculations"],"prefix":"10.1021","volume":"125","author":[{"given":"Bowei","family":"Wu","sequence":"first","affiliation":[{"name":"Department of Chemistry, University of Alberta, 11227 Saskatchewan Drive, Edmonton, Alberta T6G 2R3, Canada"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Arsh S.","family":"Hazrah","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Alberta, 11227 Saskatchewan Drive, Edmonton, Alberta T6G 2R3, Canada"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Nathan A.","family":"Seifert","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Alberta, 11227 Saskatchewan Drive, Edmonton, Alberta T6G 2R3, Canada"},{"name":"Department of Chemistry and Chemical & Biomedical Engineering, University of New Haven, 300 Boston Post Rd, West Haven, Connecticut 06516, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9047-8910","authenticated-orcid":true,"given":"S\u00f6nke","family":"Oswald","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Alberta, 11227 Saskatchewan Drive, Edmonton, Alberta T6G 2R3, Canada"},{"name":"Institut f\u00fcr Physikalische Chemie, Georg-August-Universit\u00e4t G\u00f6ttingen, Tammannstra\u00dfe 6, 37077 G\u00f6ttingen, Germany"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2841-2125","authenticated-orcid":true,"given":"Wolfgang","family":"J\u00e4ger","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Alberta, 11227 Saskatchewan Drive, Edmonton, Alberta T6G 2R3, Canada"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3736-3190","authenticated-orcid":true,"given":"Yunjie","family":"Xu","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Alberta, 11227 Saskatchewan Drive, Edmonton, Alberta T6G 2R3, Canada"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2021,11,30]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1002\/pro.5560060218"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/ja990833t"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1246\/bcsj.61.281"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1997.1468"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-017-0088"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.jqsrt.2017.04.031"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.2116\/analsci.23.901"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.5b03240"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1039\/f29726801642"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/ja00815a004"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1021\/jp9928558"},{"key":"ref12\/cit12a","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201813881"},{"key":"ref12\/cit12b","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201813881"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2020.111408"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1063\/1.1602070"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/c5cp03585f"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2013.04.014"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1039\/c8cp05653f"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2018.07.006"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00143"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1039\/c9cp06869d"},{"key":"ref21\/cit21","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.Gaussian 16, Revision A.03, Revision B.01; Gaussian, Inc.: Wallingford, CT, 2016."},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/j100096a001"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1063\/1.464913"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1039\/b508541a"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1080\/00268977000101561"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1007\/978-94-010-0832-7_6","volume-title":"Spectroscopy from Space","author":"Kisiel Z.","year":"2001"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2015.02.003"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.jqsrt.2016.04.010"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1186\/1758-2946-4-17"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/ja100936w"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780198551683.001.0001","volume-title":"Atoms in Molecules: A Quantum Theory","author":"Bader R. F. W.","year":"1990"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.22885"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.1c03757"},{"key":"ref37\/cit37","unstructured":"Watson, J. K. G. InVibrational Spectra and Structure; During, J. R., Ed. Elsevier: New York, 1977; Vol. 6, pp 1\u201389."},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.474842"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b11255"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1039\/c7cp05464e"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1039\/c7cp01666b"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1002\/chem.201201664"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1039\/d0cp03329d"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/j100131a011"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2020.111381"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/ja061343l"},{"key":"ref47\/cit47a","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201308466"},{"key":"ref47\/cit47b","doi-asserted-by":"crossref","first-page":"1175","DOI":"10.1002\/ange.201308466","volume":"12","author":"Thomas J.","year":"2014","journal-title":"Angew. Chem."},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1063\/1.4883518"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.jms.2011.03.032"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/jp407408f"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1039\/c9cp03028j"},{"key":"ref52\/cit52a","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201505934"},{"key":"ref52\/cit52b","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201505934"},{"key":"ref53\/cit53a","doi-asserted-by":"publisher","DOI":"10.1002\/anie.201612161"},{"key":"ref53\/cit53b","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201612161"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1039\/c6cp06315b"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2852(70)90077-9"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/j100474a020"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/0022-2852(73)90051-9"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.1c09058","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,11,13]],"date-time":"2023-11-13T10:45:31Z","timestamp":1699872331000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.1c09058"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,11,30]]},"references-count":61,"journal-issue":{"issue":"48","published-print":{"date-parts":[[2021,12,9]]}},"alternative-id":["10.1021\/acs.jpca.1c09058"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.1c09058","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,11,30]]}}}