{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,4]],"date-time":"2025-10-04T07:58:21Z","timestamp":1759564701005,"version":"3.37.3"},"reference-count":69,"publisher":"Royal Society of Chemistry (RSC)","issue":"36","license":[{"start":{"date-parts":[[2020,8,20]],"date-time":"2020-08-20T00:00:00Z","timestamp":1597881600000},"content-version":"am","delay-in-days":597,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100001843","name":"Science and Engineering Research Board","doi-asserted-by":"crossref","award":["EMR\/2015\/001314"],"award-info":[{"award-number":["EMR\/2015\/001314"]}],"id":[{"id":"10.13039\/501100001843","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100001871","name":"Funda\u00e7\u00e3o para a Ci\u00eancia e a Tecnologia","doi-asserted-by":"crossref","award":["UID\/QUI\/00313\/2019"],"award-info":[{"award-number":["UID\/QUI\/00313\/2019"]}],"id":[{"id":"10.13039\/501100001871","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<p>ICS calculation by time dependent wavepacket approach for H + O<sub>2<\/sub> reaction using non-zero <italic>J<\/italic> values.<\/p>","DOI":"10.1039\/c9cp03171e","type":"journal-article","created":{"date-parts":[[2019,8,20]],"date-time":"2019-08-20T07:47:25Z","timestamp":1566287245000},"page":"20166-20176","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":17,"title":["Fully coupled (<i>J<\/i> &gt; 0) time-dependent wave-packet calculations using hyperspherical coordinates for the H + O<sub>2<\/sub> reaction on the CHIPR potential energy surface"],"prefix":"10.1039","volume":"21","author":[{"given":"Sandip","family":"Ghosh","sequence":"first","affiliation":[{"name":"School of Chemical Sciences"},{"name":"Indian Association for the Cultivation of Science"},{"name":"Kolkata-700032"},{"name":"India"}]},{"given":"Rahul","family":"Sharma","sequence":"additional","affiliation":[{"name":"Department of Chemistry"},{"name":"St. Xaviers' College"},{"name":"Kolkata-700016"},{"name":"India"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2462-4892","authenticated-orcid":false,"given":"Satrajit","family":"Adhikari","sequence":"additional","affiliation":[{"name":"School of Chemical Sciences"},{"name":"Indian Association for the Cultivation of Science"},{"name":"Kolkata-700032"},{"name":"India"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-1501-3317","authenticated-orcid":false,"given":"Ant\u00f3nio J. C.","family":"Varandas","sequence":"additional","affiliation":[{"name":"School of Physics and Physical Engineering"},{"name":"Qufu Normal University"},{"name":"273165 Qufu"},{"name":"China"},{"name":"Departamento de Qu\u00edmica, and Centro de Qu\u00edmica"}]}],"member":"292","published-online":{"date-parts":[[2019]]},"reference":[{"key":"C9CP03171E-(cit1)\/*[position()=1]","doi-asserted-by":"crossref","DOI":"10.1007\/978-1-4684-0186-8","volume-title":"Combustion Chemistry","author":"Gardiner","year":"1984","unstructured":"W. C. Gardiner  ,  Combustion Chemistry ,  Springer ,  Berlin ,  1984"},{"key":"C9CP03171E-(cit2)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1080\/0144235X.2011.649999","volume":"31","author":"Guo","year":"2012","journal-title":"Int. Rev. Phys. Chem."},{"key":"C9CP03171E-(cit3)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"244305","DOI":"10.1063\/1.1944290","volume":"122","author":"Xu","year":"2005","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit4)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"054120","DOI":"10.1063\/1.4788912","volume":"138","author":"Varandas","year":"2013","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit5)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1016\/0009-2614(79)87305-4","volume":"64","author":"Melius","year":"1979","journal-title":"Chem. Phys. Lett."},{"key":"C9CP03171E-(cit6)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"8073","DOI":"10.1021\/j100384a019","volume":"94","author":"Pastrana","year":"1990","journal-title":"J. Phys. Chem."},{"key":"C9CP03171E-(cit7)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1994","DOI":"10.1063\/1.468765","volume":"102","author":"Kendrick","year":"1995","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit8)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"15846","DOI":"10.1021\/j100043a024","volume":"99","author":"Varandas","year":"1995","journal-title":"J. Phys. Chem."},{"key":"C9CP03171E-(cit9)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3621","DOI":"10.1063\/1.1388201","volume":"115","author":"Troe","year":"2001","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit10)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"074315","DOI":"10.1063\/1.2446994","volume":"126","author":"Xie","year":"2007","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit11)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1159","DOI":"10.1080\/00268979500101731","volume":"85","author":"Varandas","year":"1995","journal-title":"Mol. Phys."},{"key":"C9CP03171E-(cit12)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"111","DOI":"10.1016\/0009-2614(95)00093-J","volume":"235","author":"Varandas","year":"1995","journal-title":"Chem. Phys. Lett."},{"key":"C9CP03171E-(cit13)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"9310","DOI":"10.1063\/1.465548","volume":"99","author":"Pack","year":"1993","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit14)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5998","DOI":"10.1063\/1.469334","volume":"102","author":"Pack","year":"1995","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit15)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5883","DOI":"10.1021\/jp050561i","volume":"109","author":"Duchovic","year":"2005","journal-title":"J. Phys. Chem. A"},{"key":"C9CP03171E-(cit16)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"23641","DOI":"10.1021\/jp0658039","volume":"110","author":"Lin","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"C9CP03171E-(cit17)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1127","DOI":"10.1039\/B613375D","volume":"9","author":"Bargueno","year":"2007","journal-title":"Phys. Chem. Chem. Phys."},{"key":"C9CP03171E-(cit18)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3489","DOI":"10.1063\/1.475776","volume":"108","author":"Viel","year":"1998","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit19)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4715","DOI":"10.1039\/b822746m","volume":"11","author":"Lin","year":"2009","journal-title":"Phys. Chem. Chem. Phys."},{"key":"C9CP03171E-(cit20)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1534","DOI":"10.1021\/jp053555v","volume":"110","author":"Lin","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"C9CP03171E-(cit21)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"014302","DOI":"10.1063\/1.3271795","volume":"132","author":"Qu\u00e9m\u00e9ner","year":"2010","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit22)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"374","DOI":"10.1063\/1.463581","volume":"97","author":"Ke\u03b2ler","year":"1992","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit23)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3359","DOI":"10.1021\/jp0036137","volume":"105","author":"Bajeh","year":"2001","journal-title":"J. Phys. Chem. A"},{"key":"C9CP03171E-(cit24)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5","DOI":"10.1002\/ijch.199400004","volume":"34","author":"Seeger","year":"1994","journal-title":"Isr. J. Chem."},{"key":"C9CP03171E-(cit25)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"602","DOI":"10.1021\/jp7098637","volume":"112","author":"Lin","year":"2008","journal-title":"J. Phys. Chem. A"},{"key":"C9CP03171E-(cit26)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"14962","DOI":"10.1021\/ja8068616","volume":"130","author":"Sun","year":"2008","journal-title":"J. Am. Chem. Soc."},{"key":"C9CP03171E-(cit27)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5404","DOI":"10.1063\/1.475929","volume":"108","author":"Meijer","year":"1998","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit28)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"870","DOI":"10.1063\/1.478054","volume":"110","author":"Meijer","year":"1999","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit29)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"11055","DOI":"10.1063\/1.1326904","volume":"113","author":"Goldfield","year":"2000","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit30)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"064316","DOI":"10.1063\/1.2762220","volume":"127","author":"Hankel","year":"2007","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit31)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5349","DOI":"10.1021\/jp072904d","volume":"111","author":"Honvault","year":"2007","journal-title":"J. Phys. Chem. A"},{"key":"C9CP03171E-(cit32)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"134117","DOI":"10.1063\/1.4795826","volume":"138","author":"Varandas","year":"2013","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit33)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1016\/S0010-4655(00)00167-3","volume":"133","author":"Skouteris","year":"2000","journal-title":"Comput. Phys. Commun."},{"key":"C9CP03171E-(cit34)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4960","DOI":"10.1021\/j100166a014","volume":"95","author":"Bowman","year":"1991","journal-title":"J. Phys. Chem."},{"key":"C9CP03171E-(cit35)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"531","DOI":"10.1063\/1.555692","volume":"12","author":"Cohen","year":"1983","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"C9CP03171E-(cit36)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"847","DOI":"10.1063\/1.555953","volume":"23","author":"Baulch","year":"1994","journal-title":"J. Phys. Chem. Ref. Data"},{"key":"C9CP03171E-(cit37)\/*[position()=1]","volume-title":"Combustion Chemistry","author":"Warnatz","year":"1984","unstructured":"J. Warnatz  , in  Combustion Chemistry , ed.  W. C. Gardiner ,  Springer-Verlag ,  New York ,  1984"},{"key":"C9CP03171E-(cit38)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"478","DOI":"10.1039\/C7CP06254K","volume":"20","author":"Ghosh","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"C9CP03171E-(cit39)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"270","DOI":"10.1016\/j.cpc.2012.09.001","volume":"184","author":"Adhikari","year":"2013","journal-title":"Comput. Phys. Commun."},{"key":"C9CP03171E-(cit40)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4837","DOI":"10.1021\/jp5035739","volume":"118","author":"Sahoo","year":"2014","journal-title":"J. Phys. Chem. A"},{"key":"C9CP03171E-(cit41)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"12392","DOI":"10.1021\/acs.jpca.5b07718","volume":"119","author":"Ghosh","year":"2015","journal-title":"J. Phys. Chem. A"},{"key":"C9CP03171E-(cit42)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"372","DOI":"10.1016\/0009-2614(90)87062-V","volume":"169","author":"Neuhauser","year":"1990","journal-title":"Chem. Phys. Lett."},{"key":"C9CP03171E-(cit43)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"12921","DOI":"10.1063\/1.1626537","volume":"119","author":"Zhang","year":"2003","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit44)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"9352","DOI":"10.1063\/1.1805514","volume":"121","author":"Chu","year":"2004","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit45)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"133108","DOI":"10.1063\/1.2202826","volume":"125","author":"Lu","year":"2006","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit46)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"054102","DOI":"10.1063\/1.2218337","volume":"125","author":"Carrasco","year":"2006","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit47)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"022703","DOI":"10.1103\/PhysRevA.74.022703","volume":"74","author":"Lin","year":"2006","journal-title":"Phys. Rev. A: At., Mol., Opt. Phys."},{"key":"C9CP03171E-(cit48)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4145","DOI":"10.1021\/jp810512j","volume":"113","author":"Sun","year":"2009","journal-title":"J. Phys. Chem. A"},{"key":"C9CP03171E-(cit49)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"084112","DOI":"10.1063\/1.3328109","volume":"132","author":"Sun","year":"2010","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit50)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"024304","DOI":"10.1063\/1.4905379","volume":"142","author":"Sahoo","year":"2015","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit51)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"85","DOI":"10.1016\/j.cplett.2017.03.003","volume":"675","author":"Ghosh","year":"2017","journal-title":"Chem. Phys. Lett."},{"key":"C9CP03171E-(cit52)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1085","DOI":"10.1063\/1.466640","volume":"100","author":"Billing","year":"1994","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit53)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"306","DOI":"10.1016\/0009-2614(90)87133-C","volume":"170","author":"Kress","year":"1990","journal-title":"Chem. Phys. Lett."},{"key":"C9CP03171E-(cit54)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"054313","DOI":"10.1063\/1.4789816","volume":"138","author":"Crawford","year":"2013","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit55)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"174103","DOI":"10.1063\/1.5042066","volume":"149","author":"Zhao","year":"2018","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit56)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"074105","DOI":"10.1063\/1.4998406","volume":"147","author":"Ghosh","year":"2017","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit57)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1916","DOI":"10.1063\/1.445970","volume":"79","author":"Johnson","year":"1983","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit58)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2674","DOI":"10.1063\/1.465229","volume":"99","author":"Billing","year":"1993","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit59)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4351","DOI":"10.1063\/1.456646","volume":"90","author":"Neuhasuer","year":"1989","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit60)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"247","DOI":"10.1016\/0301-0104(94)00354-D","volume":"191","author":"Markovic","year":"1995","journal-title":"Chem. Phys."},{"key":"C9CP03171E-(cit61)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"35","DOI":"10.1016\/0021-9991(83)90015-3","volume":"52","author":"Kosloff","year":"1986","journal-title":"J. Comput. Phys."},{"key":"C9CP03171E-(cit62)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3489","DOI":"10.1063\/1.475776","volume":"108","author":"Viel","year":"1998","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit63)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"174311","DOI":"10.1063\/1.4919860","volume":"142","author":"Rao","year":"2015","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit64)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"174312","DOI":"10.1063\/1.4919861","volume":"142","author":"Sun","year":"2015","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit65)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7180","DOI":"10.1021\/jp510202r","volume":"119","author":"Szabo","year":"2015","journal-title":"J. Phys. Chem. A"},{"key":"C9CP03171E-(cit66)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"415","DOI":"10.1016\/j.cplett.2006.01.073","volume":"421","author":"Varandas","year":"2006","journal-title":"Chem. Phys. Lett."},{"key":"C9CP03171E-(cit67)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1666","DOI":"10.1021\/jp054572n","volume":"110","author":"Chu","year":"2006","journal-title":"J. Phys. Chem. A"},{"key":"C9CP03171E-(cit68)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"014309","DOI":"10.1063\/1.4905292","volume":"142","author":"Teixidor","year":"2015","journal-title":"J. Chem. Phys."},{"key":"C9CP03171E-(cit69)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1016\/j.cplett.2015.08.028","volume":"638","author":"Teixidor","year":"2015","journal-title":"Chem. Phys. Lett."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2019\/CP\/C9CP03171E","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,4,17]],"date-time":"2024-04-17T21:24:02Z","timestamp":1713389042000},"score":1,"resource":{"primary":{"URL":"https:\/\/xlink.rsc.org\/?DOI=C9CP03171E"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019]]},"references-count":69,"journal-issue":{"issue":"36","published-print":{"date-parts":[[2019,9,18]]}},"URL":"https:\/\/doi.org\/10.1039\/c9cp03171e","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"type":"print","value":"1463-9076"},{"type":"electronic","value":"1463-9084"}],"subject":[],"published":{"date-parts":[[2019]]},"assertion":[{"value":"This document is Similarity Check deposited","name":"similarity_check","explanation":{"URL":"https:\/\/www.crossref.org\/services\/similarity-check\/"},"group":{"name":"similarity_check","label":"SIMILARITY CHECK"}},{"value":"Supplementary Information","URL":"https:\/\/doi.org\/10.1039\/C9CP03171E","name":"related_data","group":{"name":"related_data","label":"RELATED DATA"}},{"value":"Satrajit Adhikari (ORCID)","URL":"http:\/\/orcid.org\/0000-0002-2462-4892","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Ant\u00f3nio J. C. Varandas (ORCID)","URL":"http:\/\/orcid.org\/0000-0003-1501-3317","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Single-blind","order":2,"name":"peer_review_method","group":{"name":"peer_review_method","label":"PEER REVIEW METHOD"}},{"value":"Received 4 June 2019; Accepted 19 August 2019;  Accepted Manuscript published 20 August 2019;  Advance Article published 4 September 2019;  Version of Record published 18 September 2019","order":1,"name":"history","group":{"name":"publication_history","label":"PUBLICATION HISTORY"}}]}}