{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,14]],"date-time":"2026-02-14T21:43:12Z","timestamp":1771105392114,"version":"3.50.1"},"reference-count":59,"publisher":"American Chemical Society (ACS)","issue":"10","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2005,3,1]]},"DOI":"10.1021\/jp045102g","type":"journal-article","created":{"date-parts":[[2005,3,10]],"date-time":"2005-03-10T13:45:06Z","timestamp":1110462306000},"page":"2356-2363","source":"Crossref","is-referenced-by-count":54,"title":["Unimolecular and Bimolecular Calculations for HN<sub>2<\/sub>"],"prefix":"10.1021","volume":"109","author":[{"given":"P. J. S. B.","family":"Caridade","sequence":"first","affiliation":[{"name":"Departamento de Qu\u00edmica, Universidade de Coimbra, 3004-535 Coimbra, Portugal"}]},{"given":"S. P. J.","family":"Rodrigues","sequence":"additional","affiliation":[{"name":"Departamento de Qu\u00edmica, Universidade de Coimbra, 3004-535 Coimbra, Portugal"}]},{"given":"F.","family":"Sousa","sequence":"additional","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":[[2005,2,17]]},"reference":[{"key":"jp045102gb00001\/jp045102gb00001_1","first-page":"43","volume":"81","author":"Miller J. A.","year":"1981","journal-title":"J. Combust. Flame"},{"key":"jp045102gb00002\/jp045102gb00002_1","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1016\/0360-1285(89)90017-8","volume":"15","author":"Miller J. A.","year":"1989","journal-title":"Prog. Energy Combust. Sci."},{"key":"jp045102gb00003\/jp045102gb00003_1","doi-asserted-by":"crossref","first-page":"1097","DOI":"10.1002\/kin.550271107","volume":"27","author":"Bozzelli J. W.","year":"1995","journal-title":"Int. J. Chem. Kinet."},{"key":"jp045102gb00004\/jp045102gb00004_1","doi-asserted-by":"crossref","first-page":"274","DOI":"10.1016\/S0010-2180(97)00328-3","volume":"114","author":"Hayhurst A. N.","year":"1998","journal-title":"Combust. Flame"},{"key":"jp045102gb00005\/jp045102gb00005_1","doi-asserted-by":"crossref","first-page":"573","DOI":"10.1016\/S0010-2180(00)00228-5","volume":"124","author":"Hugues K. J.","year":"2001","journal-title":"J. Combust. Flame"},{"key":"jp045102gb00006\/jp045102gb00006_1","doi-asserted-by":"crossref","first-page":"311","DOI":"10.1016\/S0010-2180(03)00013-0","volume":"133","author":"Tomeczek J.","year":"1998","journal-title":"Combust. Flame"},{"key":"jp045102gb00007\/jp045102gb00007_1","doi-asserted-by":"crossref","first-page":"2865","DOI":"10.1021\/jp0270349","volume":"107","author":"Hwang D.","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"jp045102gb00008\/jp045102gb00008_1","doi-asserted-by":"crossref","first-page":"1624","DOI":"10.1063\/1.456054","volume":"90","author":"Selgren S. F.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"jp045102gb00009\/jp045102gb00009_1","doi-asserted-by":"crossref","first-page":"3230","DOI":"10.1063\/1.455875","volume":"90","author":"Walch S. P.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"jp045102gb00010\/jp045102gb00010_1","doi-asserted-by":"crossref","first-page":"4130","DOI":"10.1063\/1.460768","volume":"95","author":"Koizumi H.","year":"1991","journal-title":"J. Chem. Phys."},{"key":"jp045102gb00011\/jp045102gb00011_1","doi-asserted-by":"crossref","first-page":"7923","DOI":"10.1021\/jp030571o","volume":"107","author":"Poveda L. A.","year":"2003","journal-title":"J. Phys. Chem."},{"key":"jp045102gb00012\/jp045102gb00012_1","doi-asserted-by":"crossref","first-page":"757","DOI":"10.1002\/(SICI)1097-4601(1999)31:11<757::AID-JCK1>3.0.CO;2-V","volume":"31","author":"Miller J. A.","year":"1999","journal-title":"Int. J. Chem. Kinet."},{"key":"jp045102gb00013\/jp045102gb00013_1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/00102200108907830","volume":"168","author":"Konnov A. A.","year":"2001","journal-title":"Combust. Sci. Technol."},{"key":"jp045102gb00014\/jp045102gb00014_1","doi-asserted-by":"crossref","first-page":"106","DOI":"10.1016\/S0010-2180(00)00187-5","volume":"124","author":"Konnov A. A.","year":"2001","journal-title":"Combust. Flame"},{"key":"jp045102gb00015\/jp045102gb00015_1","unstructured":"Dean, A. M.Proceedings of the International Conference on theFoundations of Molecular Modeling and Simulation (FOMMS); AIChE Symposium Series 97; American Institute of Chemical Engineers:\u2009 New York, 2001; p 84."},{"key":"jp045102gb00016\/jp045102gb00016_1","volume-title":"Proceedings of the Combustion Institute","volume":"673","author":"Miller J. A."},{"key":"jp045102gb00017\/jp045102gb00017_1","doi-asserted-by":"crossref","first-page":"381","DOI":"10.1016\/0010-2180(73)90030-8","volume":"20","author":"Kaskan W. E.","year":"1973","journal-title":"Combust. Flame"},{"key":"jp045102gb00018\/jp045102gb00018_1","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1016\/j.combustflame.2003.12.008","volume":"136","author":"Skreiberg O.","year":"2004","journal-title":"Combust. Flame"},{"key":"jp045102gb00019\/jp045102gb00019_1","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1007\/PL00004070","volume":"11","author":"Catoire L.","year":"2001","journal-title":"Shock Waves"},{"key":"jp045102gb00020\/jp045102gb00020_1","doi-asserted-by":"crossref","first-page":"156","DOI":"10.1002\/bbpc.19940980204","volume":"98","author":"Hack W.","year":"1994","journal-title":"Ber. Bunsen-Ges. Phys. Chem."},{"key":"jp045102gb00021\/jp045102gb00021_1","volume-title":"Table of recommended rate constants for chemical reactions occuring in combustion","author":"Westley F.","year":"1980"},{"key":"jp045102gb00022\/jp045102gb00022_1","first-page":"255","volume":"74","author":"Varandas A. J. C.","year":"1988","journal-title":"Adv. Chem. Phys."},{"key":"jp045102gb00023\/jp045102gb00023_1","unstructured":"Varandas, A. J. C. InLecture Notes in Chemistry; Lagan\u00e1, A., Riganelli, A., Eds.; Springer:\u2009 Berlin, 2000; Vol. 75, p 33."},{"key":"jp045102gb00024\/jp045102gb00024_1","volume-title":"Conical Intersections:\u2009 Electronic Structure, Dynamics and Spectroscopy","author":"Varandas A. J.","year":"2004"},{"key":"jp045102gb00025\/jp045102gb00025_1","volume-title":"Molecular Potential Energy Functions","author":"Murrell J. N.","year":"1984"},{"key":"jp045102gb00026\/jp045102gb00026_1","doi-asserted-by":"crossref","first-page":"5803","DOI":"10.1063\/1.455556","volume":"89","author":"Werner H.-J.","year":"1988","journal-title":"J. Chem. Phys."},{"key":"jp045102gb00027\/jp045102gb00027_1","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":"jp045102gb00028\/jp045102gb00028_1","doi-asserted-by":"crossref","first-page":"4379","DOI":"10.1063\/1.456624","volume":"90","author":"Varandas A. J. C.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"jp045102gb00029\/jp045102gb00029_1","doi-asserted-by":"crossref","first-page":"455","DOI":"10.1016\/0009-2614(87)80540-7","volume":"138","author":"Varandas A. J. C.","year":"1987","journal-title":"Chem. Phys. Lett."},{"key":"jp045102gb00030\/jp045102gb00030_1","first-page":"287","volume":"10","author":"Bunker D. L.","year":"1971","journal-title":"Methods Comput. Phys."},{"key":"jp045102gb00031\/jp045102gb00031_1","volume-title":"Modern Theoretical Chemistry, Dynamics of Molecular Collisions, part B","volume":"1","author":"Porter R. N."},{"key":"jp045102gb00032\/jp045102gb00032_1","first-page":"171","volume":"105","author":"Peslherbe G. H.","year":"1999","journal-title":"Adv. Chem. Phys."},{"key":"jp045102gb00033\/jp045102gb00033_1","doi-asserted-by":"crossref","first-page":"5369","DOI":"10.1021\/jp0301305","volume":"107","author":"Rodrigues S. P. J.","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"jp045102gb00034\/jp045102gb00034_1","doi-asserted-by":"crossref","first-page":"3556","DOI":"10.1021\/jp037040k","volume":"108","author":"Caridade P. J. S. B.","year":"2004","journal-title":"J. Phys. Chem. A"},{"key":"jp045102gb00035\/jp045102gb00035_1","volume-title":"A Computer Program for Solving the Radial Schr\u00f6dinger Equation for Bound and Quasi-bound Levels","author":"Leroy R. J.","year":"2002"},{"key":"jp045102gb00036\/jp045102gb00036_1","doi-asserted-by":"crossref","first-page":"941","DOI":"10.1039\/ft9928800941","volume":"88","author":"Varandas A. J. C.","year":"1992","journal-title":"J. Chem. Soc., Faraday Trans."},{"key":"jp045102gb00037\/jp045102gb00037_1","first-page":"43","volume":"16","author":"Hase W. L.","year":"1996","journal-title":"QCPE Bull."},{"key":"jp045102gb00038\/jp045102gb00038_1","volume-title":"Numerical Recipes in Fortran:\u2009 the Art of Scientific Computing","author":"Press W. H.","year":"1992"},{"key":"jp045102gb00040\/jp045102gb00040_1","doi-asserted-by":"crossref","first-page":"1109","DOI":"10.1103\/PhysRevA.1.1109","volume":"1","author":"Hazi A. U.","year":"1970","journal-title":"Phys. Rev. A"},{"key":"jp045102gb00041\/jp045102gb00041_1","doi-asserted-by":"crossref","first-page":"818","DOI":"10.1103\/PhysRevA.48.818","volume":"48","author":"Mandelshtam V. A.","year":"1993","journal-title":"Phys. Rev. A"},{"key":"jp045102gb00042\/jp045102gb00042_1","doi-asserted-by":"crossref","first-page":"2764","DOI":"10.1103\/PhysRevA.50.2764","volume":"50","author":"Mandelshtam V. A.","year":"1994","journal-title":"Phys. Rev. A"},{"key":"jp045102gb00043\/jp045102gb00043_1","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1016\/0009-2614(95)01390-3","volume":"249","author":"Salzgeber R. F.","year":"1996","journal-title":"Chem. Phys. Lett."},{"key":"jp045102gb00044\/jp045102gb00044_1","first-page":"295","volume":"103","author":"Jolicard G.","year":"1986","journal-title":"J. Chem. Phys."},{"key":"jp045102gb00045\/jp045102gb00045_1","doi-asserted-by":"crossref","first-page":"1026","DOI":"10.1063\/1.454269","volume":"95","author":"Jolicard G.","year":"1988","journal-title":"J. Chem. Phys."},{"key":"jp045102gb00046\/jp045102gb00046_1","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1016\/0010-4655(94)00139-S","volume":"86","author":"Tennyson J.","year":"1995","journal-title":"Comput. Phys. Commun."},{"key":"jp045102gb00047\/jp045102gb00047_1","doi-asserted-by":"crossref","first-page":"5677","DOI":"10.1063\/1.467354","volume":"101","author":"Ryaboy V.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"jp045102gb00048\/jp045102gb00048_1","first-page":"653","volume":"91","author":"Bludsk\u00fd O.","year":"1997","journal-title":"Mol. Phys."},{"key":"jp045102gb00049\/jp045102gb00049_1","doi-asserted-by":"crossref","first-page":"225","DOI":"10.1016\/S0301-0104(01)00694-2","volume":"276","author":"Kraemer W. P.","year":"2002","journal-title":"Chem. Phys."},{"key":"jp045102gb00050\/jp045102gb00050_1","doi-asserted-by":"crossref","first-page":"1279","DOI":"10.1039\/a808809h","volume":"1","author":"Skokov S.","year":"1999","journal-title":"Phys. Chem. Chem. Phys."},{"key":"jp045102gb00051\/jp045102gb00051_1","doi-asserted-by":"crossref","first-page":"449","DOI":"10.1016\/S0009-2614(02)01554-3","volume":"366","author":"Mussa H. Y.","year":"2002","journal-title":"Chem. Phys. Lett."},{"key":"jp045102gb00052\/jp045102gb00052_1","doi-asserted-by":"crossref","first-page":"4351","DOI":"10.1063\/1.456646","volume":"90","author":"Neuhauser D.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"jp045102gb00053\/jp045102gb00053_1","doi-asserted-by":"crossref","first-page":"8712","DOI":"10.1021\/j100201a012","volume":"96","author":"Vib\u00f3k A.","year":"1992","journal-title":"J. Phys. Chem."},{"key":"jp045102gb00054\/jp045102gb00054_1","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1016\/S0009-2614(01)01045-4","volume":"347","author":"Li G.","year":"2001","journal-title":"Chem. Phys. Lett."},{"key":"jp045102gb00055\/jp045102gb00055_1","doi-asserted-by":"crossref","first-page":"4261","DOI":"10.1021\/j100326a003","volume":"92","author":"Miller W. H.","year":"1988","journal-title":"J. Phys. Chem."},{"key":"jp045102gb00056\/jp045102gb00056_1","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0301-0104(89)90001-3","volume":"139","author":"Hase W. L.","year":"1989","journal-title":"Chem. Phys."},{"key":"jp045102gb00057\/jp045102gb00057_1","doi-asserted-by":"crossref","first-page":"3006","DOI":"10.1021\/jp980725d","volume":"102","author":"Bowman J. M.","year":"1998","journal-title":"J. Phys. Chem. A"},{"key":"jp045102gb00058\/jp045102gb00058_1","doi-asserted-by":"crossref","first-page":"5163","DOI":"10.1063\/1.1671032","volume":"50","author":"Roberts R. E.","year":"1969","journal-title":"J. Chem. Phys."},{"key":"jp045102gb00059\/jp045102gb00059_1","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/0009-2614(95)00116-L","volume":"235","author":"Kendrick B. K.","year":"1995","journal-title":"Chem. Phys. Lett."},{"key":"jp045102gb00060\/jp045102gb00060_1","doi-asserted-by":"crossref","first-page":"3096","DOI":"10.1063\/1.1538237","volume":"118","author":"Guo Y.","year":"2003","journal-title":"J. Chem. Phys."}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/jp045102g","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,10,6]],"date-time":"2021-10-06T01:45:45Z","timestamp":1633484745000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/jp045102g"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2005,2,17]]},"references-count":59,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2005,3,1]]}},"alternative-id":["10.1021\/jp045102g"],"URL":"https:\/\/doi.org\/10.1021\/jp045102g","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2005,2,17]]}}}