{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,25]],"date-time":"2026-06-25T08:51:23Z","timestamp":1782377483736,"version":"3.54.5"},"reference-count":38,"publisher":"American Chemical Society (ACS)","issue":"25","license":[{"start":{"date-parts":[[2026,6,15]],"date-time":"2026-06-15T00:00:00Z","timestamp":1781481600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,6,15]],"date-time":"2026-06-15T00:00:00Z","timestamp":1781481600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,6,15]],"date-time":"2026-06-15T00:00:00Z","timestamp":1781481600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["JP22K05022"],"award-info":[{"award-number":["JP22K05022"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001691","name":"Japan Society for the Promotion of Science","doi-asserted-by":"publisher","award":["JP23H01922"],"award-info":[{"award-number":["JP23H01922"]}],"id":[{"id":"10.13039\/501100001691","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. A"],"published-print":{"date-parts":[[2026,6,25]]},"DOI":"10.1021\/acs.jpca.6c01522","type":"journal-article","created":{"date-parts":[[2026,6,15]],"date-time":"2026-06-15T06:30:47Z","timestamp":1781505047000},"page":"4782-4789","source":"Crossref","is-referenced-by-count":0,"title":["Understanding the Mechanism of Low-Temperature NH\n                    <sub>3<\/sub>\n                    \u2013SCR Half-Cycle on Cu-CHA Using Automated Reaction Path Search"],"prefix":"10.1021","volume":"130","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7632-5210","authenticated-orcid":true,"given":"Ryusei","family":"Morimoto","sequence":"first","affiliation":[{"name":"Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3589-9859","authenticated-orcid":true,"given":"Kanami","family":"Sugiyama","sequence":"additional","affiliation":[{"name":"Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan"},{"name":"Principles of Informatics Research Division, National Institute of Informatics, Chiyoda-ku, Tokyo 101-8430, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9829-389X","authenticated-orcid":true,"given":"Masahiro","family":"Higashi","sequence":"additional","affiliation":[{"name":"Department of Complex Systems Science, Graduate School of Informatics","place":["Nagoya, Japan"]},{"name":"Nagoya University","place":["Nagoya, Japan"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6266-9058","authenticated-orcid":true,"given":"Hirofumi","family":"Sato","sequence":"additional","affiliation":[{"name":"Department of Molecular Engineering, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510, Japan"},{"name":"Fukui Institute for Fundamental Chemistry, Kyoto University, Sakyo-ku, Kyoto 606-8103, Japan"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,6,15]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcat.2010.07.031"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/s11244-013-0145-8"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/S0920-5861(98)00399-X"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.1c03973"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1002\/ange.202014926"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.apcatb.2020.118722"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.0c00440"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.0c05362"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1038\/s41929-018-0032-6"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-025-55859-1"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1126\/science.aan5630"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.0c03425"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.0c06270"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.accounts.0c00328"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.6b02651"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.4c00554"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b01128"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1039\/D0CY00379D"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1039\/D2CY00796G"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1021\/ct300689e"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/ct1006949"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/j.chemphys.2009.12.014"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/jp064232h"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP01576K"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/j100096a001"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.3390\/chemistry7020044"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1002\/tcr.201600043"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.25106"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.4c01831"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21759"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.cattod.2018.04.031"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/jp102712z"},{"key":"ref33\/cit33","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.; Li, X.; Caricato, M.; Marenich, A. V.; Bloino, J.; Janesko, B. G.; Gomperts, R.; Mennucci, B.; Hratchian, H. P.; Ortiz, J. V.; Izmaylov, A. F.; Sonnenberg, J. L.; Williams; Ding, F.; Lipparini, F.; Egidi, F.; Goings, J.; Peng, B.; Petrone, A.; Henderson, T.; Ranasinghe, D.; Zakrzewski, V. G.; Gao, J.; Rega, N.; Zheng, G.; Liang, W.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Throssell, K.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M. J.; Heyd, J. J.; Brothers, E. N.; Kudin, K. N.; Staroverov, V. N.; Keith, T. A.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A. P.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Millam, J. M.; Klene, M.; Adamo, C.; Cammi, R.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Farkas, O.; Foresman, J. B.; Fox, D. J.\n                      Gaussian 16\n                      , Rev. C.01, Gaussian Inc. 2016."},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.25873"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.460343"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.5b09447"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1246\/cl.200092"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/cs501673g"}],"container-title":["The Journal of Physical Chemistry A"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.6c01522","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpca.6c01522","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,25]],"date-time":"2026-06-25T08:37:58Z","timestamp":1782376678000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpca.6c01522"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,15]]},"references-count":38,"journal-issue":{"issue":"25","published-print":{"date-parts":[[2026,6,25]]}},"alternative-id":["10.1021\/acs.jpca.6c01522"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpca.6c01522","relation":{},"ISSN":["1089-5639","1520-5215"],"issn-type":[{"value":"1089-5639","type":"print"},{"value":"1520-5215","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,15]]}}}