{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,8,22]],"date-time":"2023-08-22T08:33:46Z","timestamp":1692693226749},"reference-count":46,"publisher":"American Chemical Society (ACS)","issue":"43","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2010,11,4]]},"DOI":"10.1021\/jp102841f","type":"journal-article","created":{"date-parts":[[2010,10,8]],"date-time":"2010-10-08T12:04:04Z","timestamp":1286539444000},"page":"11663-11669","source":"Crossref","is-referenced-by-count":3,"title":["Ab Initio Study of Hydrazinyl Radical: Toward a DMBE Potential Energy Surface"],"prefix":"10.1021","volume":"114","author":[{"given":"L. A.","family":"Poveda","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica, Universidade de Coimbra, 3004-535 Coimbra, Portugal"}]},{"given":"A. J. C.","family":"Varandas","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica, Universidade de Coimbra, 3004-535 Coimbra, Portugal"}]}],"member":"316","published-online":{"date-parts":[[2010,10,8]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"2865","DOI":"10.1021\/jp0270349","volume":"107","author":"Hwang D.-Y.","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/00102200108907830","volume":"168","author":"Konnov A.","year":"2001","journal-title":"Combust. Sci. Technol."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"8398","DOI":"10.1021\/ja00204a011","volume":"111","author":"Zhong Y.","year":"1989","journal-title":"J. Am. Chem. Soc."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"145","DOI":"10.1080\/01442358309353342","volume":"3","author":"Strobel D. F.","year":"1983","journal-title":"Int. Rev. Phys. Chem."},{"key":"ref5\/cit5","first-page":"E06002","volume":"109","author":"Wilson E. H.","year":"2004","journal-title":"J. Geophys. Res."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"442","DOI":"10.1063\/1.1744501","volume":"29","author":"Foner S. N.","year":"1958","journal-title":"J. Chem. Phys."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"2175","DOI":"10.1063\/1.438600","volume":"71","author":"Chandler G. S.","year":"1979","journal-title":"J. Chem. Phys."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"4385","DOI":"10.1063\/1.461762","volume":"95","author":"Pople J. A.","year":"1991","journal-title":"J. Chem. Phys."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"924","DOI":"10.1039\/F29726800924","volume":"68","author":"Fantechi R.","year":"1971","journal-title":"J. Chem. Soc., Faraday Trans. 2"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"4903","DOI":"10.1021\/jo00281a037","volume":"54","author":"Kost D.","year":"1989","journal-title":"J. Org. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"4378","DOI":"10.1063\/1.461761","volume":"95","author":"Ruscic B.","year":"1991","journal-title":"J. Chem. Phys."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"6298","DOI":"10.1063\/1.471290","volume":"104","author":"Linder D. P.","year":"1996","journal-title":"J. Chem. Phys."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"3808","DOI":"10.1021\/jp970052j","volume":"101","author":"Chuang Y. Y.","year":"1997","journal-title":"J. Phys. Chem."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"7414","DOI":"10.1063\/1.470313","volume":"103","author":"Mebel A. M.","year":"1995","journal-title":"J. Chem. Phys."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"7923","DOI":"10.1021\/jp030571o","volume":"107","author":"Poveda L. A.","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"2867","DOI":"10.1039\/b505590c","volume":"7","author":"Poveda L. A.","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"404","DOI":"10.1007\/s00214-006-0092-6","volume":"116","author":"Varandas A. J. C.","year":"2006","journal-title":"Theor. Chem. Acc."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"46","DOI":"10.1016\/j.cplett.2006.04.073","volume":"424","author":"Biczysko M.","year":"2006","journal-title":"Chem. Phys. Lett."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"044309","DOI":"10.1063\/1.3176512","volume":"131","author":"Poveda L. A.","year":"2009","journal-title":"J. Chem. Phys."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"6669","DOI":"10.1021\/jp1019685","volume":"114","author":"Li Y. Q.","year":"2010","journal-title":"J. Phys. Chem. A"},{"key":"ref21\/cit21","first-page":"255","volume":"74","author":"Varandas A. J. C.","year":"1988","journal-title":"Adv. Chem. Phys."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","unstructured":"Varandas, A. J. C.InModeling and Interpolation of Global Multisheeted Potential Energy Surface;Domke, W.; Yarkony, D.; K\u00f6pel, H., Eds.World Scientific Publishing:River Edge, NJ, 2004; p91.","DOI":"10.1142\/9789812565464_0005"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"8718","DOI":"10.1063\/1.464480","volume":"98","author":"Watts J. D.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"1007","DOI":"10.1063\/1.456153","volume":"90","author":"Dunning T. H.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"6769","DOI":"10.1063\/1.462569","volume":"96","author":"Kendall R.","year":"1992","journal-title":"J. Chem. Phys."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","DOI":"10.1002\/9781119019572","volume-title":"Molecular Electronic-Structure Theory","author":"Helgaker T.","year":"2000"},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"8880","DOI":"10.1063\/1.1319644","volume":"113","author":"Varandas A. J. C.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"481","DOI":"10.1080\/00268970010017315","volume":"6","author":"Klopper W.","year":"2001","journal-title":"Mol. Phys."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"761","DOI":"10.1063\/1.1379577","volume":"115","author":"Klopper W.","year":"2001","journal-title":"J. Chem. Phys."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"244105","DOI":"10.1063\/1.2741259","volume":"126","author":"Varandas A. J. C.","year":"2007","journal-title":"J. Chem. Phys."},{"key":"ref30\/cit30a","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1002\/jcc.21063","volume":"30","author":"Varandas A. J. C.","year":"2009","journal-title":"J. Comp. Chem."},{"key":"ref31\/cit31","unstructured":"Werner, H.J.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Sch\u00fctz, M.; Celani, P.; Korona, T.; Mitrushenkov, A.; Rauhut, G.; Adler, T. B.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Goll, E.; Hampel, C.; Hetzer, G.; Hrenar, T.; Knizia, G.; K\u00f6ppl, C.; Liu, Y.; Lloyd, A. W.; Mata, R. A.; May, A. J.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pfl\u00fcger, K.; Pitzer, R.; Reiher, M.; Schumann, U.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; Wang, M.; Wolf, A.MOLPRO, version 2008.3, a package of ab initio programs;http:\/\/www.molpro.net (2008) ."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"437","DOI":"10.1016\/S0009-2614(99)00179-7","volume":"302","author":"Halkier A.","year":"1999","journal-title":"Chem. Phys. Lett."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"330","DOI":"10.1007\/s00214-005-0028-6","volume":"115","author":"Karton A.","year":"2006","journal-title":"Theor. Chim. Acta"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"5923","DOI":"10.1021\/jp0101460","volume":"105","author":"Mart\u00ednez-Nu\u00f1ez E.","year":"2001","journal-title":"J. Phys. Chem. A"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"2305","DOI":"10.1039\/b500990a","volume":"7","author":"Ballester M. Y.","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"8080","DOI":"10.1063\/1.466801","volume":"100","author":"Ischtwan J.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"3500","DOI":"10.1063\/1.462985","volume":"97","author":"Hadder J. E.","year":"1992","journal-title":"J. Chem. Phys."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"5000","DOI":"10.1039\/b104569p","volume":"3","author":"Urbano A. P. A.","year":"2001","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1007\/s00214-009-0575-3","volume":"125","author":"McIntosh D. F.","year":"2010","journal-title":"Theor. Chim. Acta"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"76","DOI":"10.1063\/1.1750829","volume":"9","author":"Wilson E. B. J.","year":"1941","journal-title":"J. Chem. Phys."},{"key":"ref41\/cit41","first-page":"605","volume":"28","author":"Eliashevich M.","year":"1940","journal-title":"C. R. Acad. Sci. U.R.S.S."},{"key":"ref42\/cit42","volume-title":"Molecular Vibrations","author":"Wilson E. B.","year":"1955"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"1289","DOI":"10.1139\/v78-214","volume":"56","author":"McIntosh D. F.","year":"1978","journal-title":"Can. J. Chem."},{"key":"ref44\/cit44","first-page":"5954","volume":"127","author":"Thompson K. C.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ref45\/cit45","unstructured":"NIST Computational Chemistry Comparison and Benchmark Database, NIST Standard Reference Database Number 101, Release 15a;Johnson, R. D., III, Ed. http:\/\/cccbdb.nist.gov\/(April 2010) ."}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp102841f","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,2]],"date-time":"2023-04-02T14:46:49Z","timestamp":1680446809000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp102841f"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,10,8]]},"references-count":46,"journal-issue":{"issue":"43","published-print":{"date-parts":[[2010,11,4]]}},"alternative-id":["10.1021\/jp102841f"],"URL":"https:\/\/doi.org\/10.1021\/jp102841f","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,10,8]]}}}