{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T18:59:29Z","timestamp":1783018769215,"version":"3.54.6"},"reference-count":61,"publisher":"Royal Society of Chemistry (RSC)","issue":"5","license":[{"start":{"date-parts":[[2020,1,15]],"date-time":"2020-01-15T00:00:00Z","timestamp":1579046400000},"content-version":"am","delay-in-days":379,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100004396","name":"Thailand Research Fund","doi-asserted-by":"crossref","award":["MRG6180144"],"award-info":[{"award-number":["MRG6180144"]}],"id":[{"id":"10.13039\/501100004396","id-type":"DOI","asserted-by":"crossref"}]},{"DOI":"10.13039\/501100005621","name":"Kasetsart University Research and Development Institute","doi-asserted-by":"crossref","id":[{"id":"10.13039\/501100005621","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<p>\n                    The formaldehyde encapsulation and the carbonyl\u2013ene reaction over the metal\u2013organic frameworks M\n                    <sub>3<\/sub>\n                    (btc)\n                    <sub>2<\/sub>\n                    (M = Fe, Co, Ni, Cu and Zn) is investigated by means of DFT calculations.\n                  <\/p>","DOI":"10.1039\/c8cp06841k","type":"journal-article","created":{"date-parts":[[2019,1,15]],"date-time":"2019-01-15T02:05:59Z","timestamp":1547517959000},"page":"2783-2789","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":28,"title":["Computational study of the carbonyl\u2013ene reaction between formaldehyde and propylene encapsulated in coordinatively unsaturated metal\u2013organic frameworks M\n                    <sub>3<\/sub>\n                    (btc)\n                    <sub>2<\/sub>\n                    (M = Fe, Co, Ni, Cu and Zn)"],"prefix":"10.1039","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8180-1218","authenticated-orcid":false,"given":"Thana","family":"Maihom","sequence":"first","affiliation":[{"name":"Department of Chemistry"},{"name":"Faculty of Liberal Arts and Science"},{"name":"Kasetsart University"},{"name":"Nakhon Pathom 73140"},{"name":"Thailand"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michael","family":"Probst","sequence":"additional","affiliation":[{"name":"Institute of Ion Physics and Applied Physics"},{"name":"University of Innsbruck"},{"name":"Innsbruck 6020"},{"name":"Austria"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jumras","family":"Limtrakul","sequence":"additional","affiliation":[{"name":"Department of Materials Science and Engineering"},{"name":"Vidyasirimedhi Institute of Science and Technology"},{"name":"Rayong 21210"},{"name":"Thailand"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2019]]},"reference":[{"key":"C8CP06841K-(cit1)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"556","DOI":"10.1002\/anie.196905561","volume":"8","author":"Hoffmann","year":"1969","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"C8CP06841K-(cit2)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"476","DOI":"10.1002\/anie.197804761","volume":"17","author":"Oppolzer","year":"1978","journal-title":"Angew. Chem., Int. Ed. Engl."},{"key":"C8CP06841K-(cit3)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4264","DOI":"10.1002\/hlca.200290011","volume":"85","author":"Yamanaka","year":"2002","journal-title":"Helv. Chim. Acta"},{"key":"C8CP06841K-(cit4)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2306","DOI":"10.1021\/ja039737p","volume":"126","author":"Okachi","year":"2004","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP06841K-(cit5)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1127","DOI":"10.1126\/science.1083440","volume":"300","author":"Rosi","year":"2003","journal-title":"Science"},{"key":"C8CP06841K-(cit6)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"705","DOI":"10.1038\/nature01650","volume":"423","author":"Yaghi","year":"2003","journal-title":"Nature"},{"key":"C8CP06841K-(cit7)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2683","DOI":"10.1021\/la0355500","volume":"20","author":"Duren","year":"2004","journal-title":"Langmuir"},{"key":"C8CP06841K-(cit8)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"17998","DOI":"10.1021\/ja0570032","volume":"127","author":"Millward","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP06841K-(cit9)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1350","DOI":"10.1126\/science.1113247","volume":"309","author":"Rowsell","year":"2005","journal-title":"Science"},{"key":"C8CP06841K-(cit10)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"6289","DOI":"10.1002\/anie.200700303","volume":"46","author":"Han","year":"2007","journal-title":"Angew. Chem., Int. Ed."},{"key":"C8CP06841K-(cit11)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1294","DOI":"10.1039\/b802256a","volume":"38","author":"Murray","year":"2009","journal-title":"Chem. Soc. Rev."},{"key":"C8CP06841K-(cit12)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2563","DOI":"10.1039\/B600408C","author":"Cho","year":"2006","journal-title":"Chem. Commun."},{"key":"C8CP06841K-(cit13)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"9854","DOI":"10.1021\/jp802343n","volume":"112","author":"Liu","year":"2008","journal-title":"J. Phys. Chem. C"},{"key":"C8CP06841K-(cit14)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"4204","DOI":"10.1021\/ja900203f","volume":"131","author":"Shultz","year":"2009","journal-title":"J. Am. Chem. Soc."},{"issue":"9","key":"C8CP06841K-(cit15)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2607","DOI":"10.1021\/ja067374y","volume":"129","author":"Hasegawa","year":"2007","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP06841K-(cit16)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"1148","DOI":"10.1126\/science.283.5405.1148","volume":"283","author":"Chui","year":"1999","journal-title":"Science"},{"key":"C8CP06841K-(cit17)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7782","DOI":"10.1021\/ic062273m","volume":"46","author":"Xie","year":"2007","journal-title":"Inorg. Chem."},{"key":"C8CP06841K-(cit18)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7856","DOI":"10.1021\/ja1027925","volume":"132","author":"Murray","year":"2010","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP06841K-(cit19)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"5085","DOI":"10.1021\/ic200381f","volume":"50","author":"Maniam","year":"2011","journal-title":"Inorg. Chem."},{"key":"C8CP06841K-(cit20)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2113","DOI":"10.1002\/1521-3773(20010601)40:11<2113::AID-ANIE2113>3.0.CO;2-3","volume":"40","author":"Lu","year":"2001","journal-title":"Angew. Chem., Int. Ed."},{"key":"C8CP06841K-(cit21)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"8509","DOI":"10.1039\/c1cc11107h","volume":"47","author":"Kozachuk","year":"2011","journal-title":"Chem. Commun."},{"key":"C8CP06841K-(cit22)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2245","DOI":"10.1039\/b601811d","volume":"16","author":"Kramer","year":"2006","journal-title":"Mater. Chem."},{"key":"C8CP06841K-(cit23)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7931","DOI":"10.1039\/c2dt30372h","volume":"41","author":"Wade","year":"2012","journal-title":"Dalton Trans."},{"key":"C8CP06841K-(cit24)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"6556","DOI":"10.1021\/jp511789g","volume":"119","author":"Parkes","year":"2015","journal-title":"J. Phys. Chem. C"},{"key":"C8CP06841K-(cit25)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1016\/j.cattod.2014.07.003","volume":"243","author":"Zukal","year":"2015","journal-title":"Catal. Today"},{"key":"C8CP06841K-(cit26)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.apcata.2010.01.042","volume":"378","author":"Dhakshinamoorthy","year":"2010","journal-title":"Appl. Catal., A"},{"key":"C8CP06841K-(cit27)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2060","DOI":"10.1021\/cs300345b","volume":"2","author":"Dhakshinamoorthy","year":"2012","journal-title":"ACS Catal."},{"key":"C8CP06841K-(cit28)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"158","DOI":"10.1016\/j.cattod.2014.08.016","volume":"243","author":"Kikhtyanin","year":"2015","journal-title":"Catal. Today"},{"key":"C8CP06841K-(cit29)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"606","DOI":"10.1039\/C2CY20577G","volume":"3","author":"Mitchell","year":"2013","journal-title":"Catal. Sci. Technol."},{"key":"C8CP06841K-(cit30)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"14570","DOI":"10.1021\/jp4018037","volume":"117","author":"Supronowicz","year":"2013","journal-title":"J. Phys. Chem. C"},{"key":"C8CP06841K-(cit31)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"33432","DOI":"10.1039\/C5RA04791A","volume":"5","author":"Wang","year":"2015","journal-title":"RSC Adv."},{"key":"C8CP06841K-(cit32)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"157","DOI":"10.1021\/ar700111a","volume":"41","author":"Zhao","year":"2008","journal-title":"Acc. Chem. Res."},{"key":"C8CP06841K-(cit33)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"16588","DOI":"10.1039\/c2cp42066j","volume":"14","author":"Panjan","year":"2012","journal-title":"Phys. Chem. Chem. Phys."},{"key":"C8CP06841K-(cit34)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1016\/j.cplett.2012.11.058","volume":"556","author":"Maihom","year":"2013","journal-title":"Chem. Phys. Lett."},{"key":"C8CP06841K-(cit35)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"6654","DOI":"10.1021\/jp809746a","volume":"113","author":"Maihom","year":"2009","journal-title":"J. Phys. Chem. C"},{"key":"C8CP06841K-(cit36)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"7850","DOI":"10.1021\/jp911732p","volume":"114","author":"Maihom","year":"2010","journal-title":"J. Phys. Chem. C"},{"key":"C8CP06841K-(cit37)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1002\/cphc.201200786","volume":"14","author":"Maihom","year":"2013","journal-title":"ChemPhysChem"},{"key":"C8CP06841K-(cit38)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"18564","DOI":"10.1021\/jp505002u","volume":"118","author":"Maihom","year":"2014","journal-title":"J. Phys. Chem. C"},{"key":"C8CP06841K-(cit39)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3334","DOI":"10.1002\/cphc.201500427","volume":"16","author":"Maihom","year":"2015","journal-title":"ChemPhysChem"},{"key":"C8CP06841K-(cit40)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"24042","DOI":"10.1039\/C7CP04229A","volume":"19","author":"Injongkol","year":"2017","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"11","key":"C8CP06841K-(cit41)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"6599","DOI":"10.1021\/acs.inorgchem.8b00741","volume":"57","author":"Prasertsab","year":"2018","journal-title":"Inorg. Chem."},{"key":"C8CP06841K-(cit42)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"2066","DOI":"10.1021\/jp1094068","volume":"115","author":"Getman","year":"2011","journal-title":"J. Phys. Chem. C"},{"key":"C8CP06841K-(cit43)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3416","DOI":"10.1002\/cphc.201600836","volume":"17","author":"Maihom","year":"2016","journal-title":"ChemPhysChem"},{"key":"C8CP06841K-(cit44)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"17650","DOI":"10.1021\/jp405178p","volume":"117","author":"Maihom","year":"2013","journal-title":"J. Phys. Chem. C"},{"issue":"2","key":"C8CP06841K-(cit45)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"698","DOI":"10.1021\/ja4102979","volume":"136","author":"Lee","year":"2014","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP06841K-(cit46)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3416","DOI":"10.1002\/cphc.201600836","volume":"17","author":"Maihom","year":"2016","journal-title":"ChemPhysChem"},{"issue":"35","key":"C8CP06841K-(cit47)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"19686","DOI":"10.1021\/acs.jpcc.6b05205","volume":"120","author":"Wannakao","year":"2016","journal-title":"J. Phys. Chem. C"},{"issue":"22","key":"C8CP06841K-(cit48)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"14005","DOI":"10.1021\/acs.inorgchem.7b02143","volume":"56","author":"Ketrat","year":"2017","journal-title":"Inorg. Chem."},{"key":"C8CP06841K-(cit49)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"8739","DOI":"10.1021\/acs.inorgchem.7b01334","volume":"56","author":"Pahls","year":"2017","journal-title":"Inorg. Chem."},{"key":"C8CP06841K-(cit50)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"6726","DOI":"10.1039\/C7CP07550B","volume":"20","author":"Maihom","year":"2018","journal-title":"Phys. Chem. Chem. Phys."},{"key":"C8CP06841K-(cit51)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1007\/BF01114537","volume":"77","author":"Andrae","year":"1990","journal-title":"Theor. Chim. Acta"},{"key":"C8CP06841K-(cit52)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"899","DOI":"10.1021\/cr00088a005","volume":"88","author":"Reed","year":"1988","journal-title":"Chem. Rev."},{"key":"C8CP06841K-(cit54)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"652","DOI":"10.1021\/jz9003608","volume":"1","author":"Tomita","year":"2010","journal-title":"J. Phys. Chem. Lett."},{"key":"C8CP06841K-(cit55)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"12486","DOI":"10.1021\/jp205985v","volume":"115","author":"Wannakao","year":"2011","journal-title":"J. Phys. Chem. A"},{"key":"C8CP06841K-(cit56)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"10855","DOI":"10.1021\/jp8021437","volume":"112","author":"Choomwattana","year":"2008","journal-title":"J. Phys. Chem. C"},{"key":"C8CP06841K-(cit57)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"84","DOI":"10.1016\/j.theochem.2010.07.011","volume":"957","author":"Yang","year":"2010","journal-title":"J. Mol. Struct.: THEOCHEM"},{"key":"C8CP06841K-(cit58)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"3355","DOI":"10.1021\/ja0559146","volume":"128","author":"Kozuch","year":"2006","journal-title":"J. Am. Chem. Soc."},{"key":"C8CP06841K-(cit59)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1021\/ar1000956","volume":"44","author":"Kozuch","year":"2011","journal-title":"Acc. Chem. Res."},{"key":"C8CP06841K-(cit60)\/*[position()=1]","first-page":"795","volume":"2","author":"Kozuch","year":"2012","journal-title":"Wiley Interdiscip. Rev.: Membr. Transp. Signaling"},{"key":"C8CP06841K-(cit61)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"6219","DOI":"10.1021\/acscatal.5b01191","volume":"5","author":"Ye","year":"2015","journal-title":"ACS Catal."},{"key":"C8CP06841K-(cit62)\/*[position()=1]","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1016\/j.jcat.2017.12.007","volume":"360","author":"Ye","year":"2018","journal-title":"J. Catal."}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/en\/content\/articlepdf\/2019\/CP\/C8CP06841K","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,2]],"date-time":"2026-07-02T17:53:11Z","timestamp":1783014791000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.rsc.org\/cp\/article\/21\/5\/2783-2789\/599966"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019]]},"references-count":61,"journal-issue":{"issue":"5","published-print":{"date-parts":[[2019,1,30]]}},"URL":"https:\/\/doi.org\/10.1039\/c8cp06841k","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"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\/C8CP06841K","name":"related_data","group":{"name":"related_data","label":"RELATED DATA"}},{"value":"Thana Maihom (ORCID)","URL":"http:\/\/orcid.org\/0000-0002-8180-1218","name":"identifier","group":{"name":"author_identifiers","label":"IDENTIFIERS"}},{"value":"Thana Maihom (ResearcherID)","URL":"http:\/\/www.researcherid.com\/rid\/F-6659-2010","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 November 2018; Accepted 14 January 2019;  Accepted Manuscript published 15 January 2019;  Advance Article published 22 January 2019;  Version of Record published 30 January 2019","order":1,"name":"history","group":{"name":"publication_history","label":"PUBLICATION HISTORY"}}]}}