{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,25]],"date-time":"2025-10-25T18:43:44Z","timestamp":1761417824621,"version":"3.40.4"},"reference-count":34,"publisher":"American Chemical Society (ACS)","issue":"15","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2013,4,18]]},"DOI":"10.1021\/jp401360c","type":"journal-article","created":{"date-parts":[[2013,3,20]],"date-time":"2013-03-20T21:00:22Z","timestamp":1363813222000},"page":"3190-3197","source":"Crossref","is-referenced-by-count":12,"title":["Amino\u2192Imino Tautomerization upon in Vacuo Sublimation of 2-Methyltetrazole-Saccharinate as Probed by Matrix Isolation Infrared Spectroscopy"],"prefix":"10.1021","volume":"117","author":[{"given":"A.","family":"Ismael","sequence":"first","affiliation":[{"name":"CCMAR and Department of Chemistry and Pharmacy, F.C.T., University of Algarve, P-8005-039 Faro, Portugal"},{"name":"Department of Chemistry, University of Coimbra, P-3004-535 Coimbra, Portugal"}]},{"given":"A.","family":"G\u00f3mez-Zavaglia","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Coimbra, P-3004-535 Coimbra, Portugal"},{"name":"Center for Research, Development in Food Cryotechnology, (Conicet La Plata, National University of La Plata), RA-1900 La Plata, Argentina"}]},{"given":"A.","family":"Borba","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Coimbra, P-3004-535 Coimbra, Portugal"}]},{"given":"M. L. S.","family":"Cristiano","sequence":"additional","affiliation":[{"name":"CCMAR and Department of Chemistry and Pharmacy, F.C.T., University of Algarve, P-8005-039 Faro, Portugal"}]},{"given":"R.","family":"Fausto","sequence":"additional","affiliation":[{"name":"Department of Chemistry, University of Coimbra, P-3004-535 Coimbra, Portugal"}]}],"member":"316","published-online":{"date-parts":[[2013,4,4]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"142","DOI":"10.1016\/j.molcata.2008.12.007","volume":"305","author":"Frija L. M. T.","year":"2009","journal-title":"J. Mol. Catal. A: Chem."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","DOI":"10.1002\/3527607439","volume-title":"Supramolecular Chemistry","author":"Lehn J.-M.","year":"1995"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","DOI":"10.1007\/978-94-015-8707-5","volume-title":"Magnetism: A Supramolecular Function","author":"Kahn O.","year":"1996"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1016\/j.molstruc.2011.07.044","volume":"1003","author":"G\u00f3mez-Zavaglia A.","year":"2011","journal-title":"J. Mol. Struct."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1016\/j.molstruc.2012.04.018","volume":"1023","author":"Ismael A.","year":"2012","journal-title":"J. Mol. Struct."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"650","DOI":"10.1063\/1.438955","volume":"72","author":"Krishnan R.","year":"1980","journal-title":"J. Chem. Phys."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"5639","DOI":"10.1063\/1.438980","volume":"72","author":"McLean A. D.","year":"1980","journal-title":"J. Chem. Phys."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"3265","DOI":"10.1063\/1.447079","volume":"80","author":"Frisch M. J.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"294","DOI":"10.1002\/jcc.540040303","volume":"4","author":"Clark T.","year":"1983","journal-title":"J. Comput. Chem."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"499","DOI":"10.1016\/0009-2614(92)85807-M","volume":"197","author":"Gill P. M. W.","year":"1992","journal-title":"Chem. Phys. Lett."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"3098","DOI":"10.1103\/PhysRevA.38.3098","volume":"38","author":"Becke A. D.","year":"1988","journal-title":"Phys. Rev. A"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"785","DOI":"10.1103\/PhysRevB.37.785","volume":"37","author":"Lee C. T.","year":"1988","journal-title":"Phys. Rev. B"},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"77","DOI":"10.1016\/j.molstruc.2007.06.004","volume":"876","author":"Kaczor A.","year":"2008","journal-title":"J. Mol. Struct."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"1762","DOI":"10.1021\/jp0770918","volume":"112","author":"G\u00f3mez-Zavaglia A.","year":"2008","journal-title":"J. Phys. Chem. A"},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"271","DOI":"10.1016\/j.molstruc.2008.09.013","volume":"919","author":"G\u00f3mez-Zavaglia A.","year":"2009","journal-title":"J. Mol. Struct."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"3517","DOI":"10.1021\/jp8112254","volume":"113","author":"G\u00f3mez-Zavaglia A.","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"556","DOI":"10.1002\/jcc.540030413","volume":"3","author":"Pulay P.","year":"1982","journal-title":"J. Comput. Chem."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"363","DOI":"10.1021\/ar00072a001","volume":"14","author":"Fukui K.","year":"1981","journal-title":"Acc. Chem. Res."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1016\/B978-044451719-7\/50053-6","volume-title":"Theory and Applications of Computational Chemistry: The First 40 Years","author":"Hratchian H. P.","year":"2005"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1002\/ijch.199300051","volume":"33","author":"Peng C.","year":"1993","journal-title":"Israel J. Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1002\/(SICI)1096-987X(19960115)17:1<49::AID-JCC5>3.0.CO;2-0","volume":"17","author":"Peng C.","year":"1996","journal-title":"J. Comput. Chem."},{"key":"ref22\/cit22","unstructured":"Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A.; Vreven, T.; Kudin, K. N.; Burant, J. C.;Gaussian 03;Gaussian, Inc.:Wallingford, CT, 2004."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"313","DOI":"10.1002\/(SICI)1096-987X(199602)17:3<313::AID-JCC6>3.0.CO;2-Y","volume":"17","author":"Wang Y.","year":"1996","journal-title":"J. Comput. Chem."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"3722","DOI":"10.1021\/jp013715c","volume":"106","author":"Chattopadhyay N.","year":"2002","journal-title":"J. Phys. Chem. A"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"350937","DOI":"10.1155\/2013\/350937","volume":"2013","author":"Jeevan T. S. A.","year":"2013","journal-title":"J. Chem."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"8908","DOI":"10.1021\/jp3048746","volume":"116","author":"Lin Y.","year":"2012","journal-title":"J. Phys. Chem. B"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"2650","DOI":"10.1021\/jp111834v","volume":"115","author":"Hargis J. C.","year":"2011","journal-title":"J. Phys. Chem. A."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"4498","DOI":"10.1039\/b704384h","volume":"9","author":"Lopez J. M.","year":"2007","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"1743","DOI":"10.1021\/jp112374t","volume":"115","author":"Kiselev V. G.","year":"2011","journal-title":"J. Phys. Chem. A"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"4022","DOI":"10.1021\/jp012894v","volume":"106","author":"Long G. T.","year":"2002","journal-title":"J. Phys. Chem. B"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"334","DOI":"10.1021\/ja01607a027","volume":"77","author":"Hammond G. S.","year":"1955","journal-title":"J. Am. Chem. Soc."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"340","DOI":"10.1126\/science.117.3039.340","volume":"117","author":"Leffler J. E.","year":"1953","journal-title":"Science"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"13076","DOI":"10.1021\/jp109215q","volume":"114","author":"Ismael A. M.","year":"2010","journal-title":"J. Phys. Chem. A"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"5693","DOI":"10.1021\/jp202925r","volume":"115","author":"Pagacz-Kostrewa M.","year":"2011","journal-title":"J. Phys. Chem. A"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp401360c","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,4,30]],"date-time":"2025-04-30T01:12:24Z","timestamp":1745975544000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp401360c"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,4,4]]},"references-count":34,"journal-issue":{"issue":"15","published-print":{"date-parts":[[2013,4,18]]}},"alternative-id":["10.1021\/jp401360c"],"URL":"https:\/\/doi.org\/10.1021\/jp401360c","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"type":"print","value":"1089-5639"},{"type":"electronic","value":"1520-5215"}],"subject":[],"published":{"date-parts":[[2013,4,4]]}}}