{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,7,2]],"date-time":"2025-07-02T18:10:03Z","timestamp":1751479803734,"version":"3.41.0"},"reference-count":27,"publisher":"Canadian Science Publishing","issue":"7","license":[{"start":{"date-parts":[[2015,7,1]],"date-time":"2015-07-01T00:00:00Z","timestamp":1435708800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.nrcresearchpress.com\/page\/about\/CorporateTextAndDataMining"}],"content-domain":{"domain":["cdnsciencepub.com"],"crossmark-restriction":false},"short-container-title":["Can. J. Chem."],"published-print":{"date-parts":[[2015,7]]},"abstract":"<jats:p> A computational study has been performed for protonated oxygen- or nitrogen-containing heterocyclic derivatives of cyclopropane and cyclopropanone. We have searched for the most stable conformations of the protonated species using density functional theory with the B3LYP functional and the 6-31G(2df,p) basis set. More accurate enthalpy values were obtained from G4 calculations. Proton affinities and gas-phase basicities were accordingly derived. <\/jats:p>","DOI":"10.1139\/cjc-2015-0029","type":"journal-article","created":{"date-parts":[[2015,2,27]],"date-time":"2015-02-27T02:15:51Z","timestamp":1425003351000},"page":"708-714","update-policy":"https:\/\/doi.org\/10.1139\/csp-crossmark-policy","source":"Crossref","is-referenced-by-count":5,"title":["Protonated heterocyclic derivatives of cyclopropane and cyclopropanone: classical species, alternate sites, and ring fragmentation"],"prefix":"10.1139","volume":"93","author":[{"given":"Margarida S.","family":"Miranda","sequence":"first","affiliation":[{"name":"Centro de Investiga\u00e7\u00e3o em Qu\u00edmica, Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias da Universidade do Porto, Rua do Campo Alegre, s\/n, P-4169-007 Porto, Portugal."}]},{"given":"Dar\u00edo J.R.","family":"Duarte","sequence":"additional","affiliation":[{"name":"Laboratorio de Estructura Molecular y Propiedades, \u00c1rea de Qu\u00edmica F\u00edsica-Departamento de Qu\u00edmica, Facultad de Ciencias Exactas y Naturales y Agrimensura, Universidad Nacional del Nordeste, Avenida Libertad 5460, (3400) Corrientes, Argentina."}]},{"given":"Joaquim C.G.","family":"Esteves da Silva","sequence":"additional","affiliation":[{"name":"Centro de Investiga\u00e7\u00e3o em Qu\u00edmica, Departamento de Qu\u00edmica e Bioqu\u00edmica, Faculdade de Ci\u00eancias da Universidade do Porto, Rua do Campo Alegre, s\/n, P-4169-007 Porto, Portugal."}]},{"given":"Joel F.","family":"Liebman","sequence":"additional","affiliation":[{"name":"Department of Chemistry and Biochemistry, University of Maryland, Baltimore County, 1000 Hilltop Circle, Baltimore, MD 21250, USA."}]}],"member":"155","reference":[{"key":"refg1\/ref1","doi-asserted-by":"publisher","DOI":"10.1021\/cr00095a016"},{"key":"refg2\/ref2","doi-asserted-by":"publisher","DOI":"10.1021\/jo4002867"},{"key":"refg3\/ref3","doi-asserted-by":"publisher","DOI":"10.1139\/cjc-2014-0321"},{"key":"refg4\/ref4","doi-asserted-by":"publisher","DOI":"10.1063\/1.2436888"},{"key":"refg5\/ref5","doi-asserted-by":"crossref","unstructured":"Bader, R. 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