{"?xml":{"@version":"1.0"},"edm:RDF":{"@xmlns:dc":"http://purl.org/dc/elements/1.1/","@xmlns:edm":"http://www.europeana.eu/schemas/edm/","@xmlns:wgs84_pos":"http://www.w3.org/2003/01/geo/wgs84_pos","@xmlns:foaf":"http://xmlns.com/foaf/0.1/","@xmlns:rdaGr2":"http://rdvocab.info/ElementsGr2","@xmlns:oai":"http://www.openarchives.org/OAI/2.0/","@xmlns:owl":"http://www.w3.org/2002/07/owl#","@xmlns:rdf":"http://www.w3.org/1999/02/22-rdf-syntax-ns#","@xmlns:ore":"http://www.openarchives.org/ore/terms/","@xmlns:skos":"http://www.w3.org/2004/02/skos/core#","@xmlns:dcterms":"http://purl.org/dc/terms/","edm:WebResource":[{"@rdf:about":"http://www.dlib.si/stream/URN:NBN:SI:doc-SE9R9Z11/d55ddc23-b049-4095-a713-cba7c47fd676/PDF","dcterms:extent":"343 KB"},{"@rdf:about":"http://www.dlib.si/stream/URN:NBN:SI:doc-SE9R9Z11/5684f55a-0865-41cc-a69d-fec433aa12b8/TEXT","dcterms:extent":"45 KB"},{"@rdf:about":"http://www.dlib.si/stream/URN:NBN:SI:doc-SE9R9Z11/5a83d392-1517-4f8c-859e-a28e8b1316cf/PDF","dcterms:extent":"102 KB"},{"@rdf:about":"http://www.dlib.si/stream/URN:NBN:SI:doc-SE9R9Z11/647db88f-3d3a-411c-bc53-f47c3f8cc1cf/TEXT","dcterms:extent":"5 KB"}],"edm:ProvidedCHO":{"@rdf:about":"URN:NBN:SI:doc-SE9R9Z11","dcterms:issued":"2025","dc:creator":["Flamm, Christoph","Müller, Stefan","Stadler, Peter F."],"dc:format":[{"@xml:lang":"sl","#text":"letnik:1"},{"@xml:lang":"sl","#text":"številka:1, article   p1.01"},{"@xml:lang":"sl","#text":"str. 1-16"}],"dc:identifier":["DOI:10.26493/2820-6657.8.d8b","ISSN:2820-6657","COBISSID_HOST:283973123","URN:URN:NBN:SI:doc-SE9R9Z11"],"dc:language":"en","dc:publisher":{"@xml:lang":"sl","#text":"University of Primorska"},"dc:source":{"@xml:lang":"sl","#text":"Discrete mathematical chemistry"},"dc:subject":[{"@xml:lang":"en","#text":"chemical reaction networks"},{"@xml:lang":"en","#text":"graph transformations"},{"@xml:lang":"sl","#text":"kemijska reakcijska omrežja"},{"@xml:lang":"en","#text":"reaction mechanisms"},{"@xml:lang":"sl","#text":"reakcijski mehanizmi"},{"@xml:lang":"sl","#text":"transformacije grafov"}],"dc:title":{"@xml:lang":"sl","#text":"Every atom-atom map for neutral molecules can be explained by electron pushing diagrams|"},"dc:description":[{"@xml:lang":"sl","#text":"Chemical reactions can be understood as transformations of multigraphs (molecules)that preserve vertex labels (atoms) and degrees (sums of bonding and non-bonding electrons), thereby implying the atom-atom map of a reaction. The corresponding reaction mechanism is often described by an electron pushing diagram that explains the transformation by consecutive local relocations of individual edges (electron pairs). Here, we showthat every degree-preserving map between multigraphs, and thus every atom-atom map, can be generated by cyclic electron pushing. Moreover, it is always possible to decompose such an explanation into electron pushing diagrams involving only four electron pairs. This inturn implies that every reaction can be decomposed into a sequence of elementary reactions that involve at most two educt molecules and two product molecules. Hence, the requirement of a mechanistic explanation in terms of electron pushing and imaginary transition states involving only a small number of bonds does not impose a combinatorial constraint on the feasibility of hypothetical chemical reactions"},{"@xml:lang":"sl","#text":"Kemijske reakcije lahko razumemo kot transformacije multigrafov (molekul), ki ohranjajo oznake vozlišč (atomov) in stopnje vozlišč (vsote veznih in neveznih elektronov), s čimer določajo preslikavo atom-atom za to reakcijo. Pripadajoči reakcijski mehanizem je pogosto opisan z diagramom porivanja elektronov, ki transformacijo pojasnjuje z zaporednimi lokalnimi premiki posameznih povezav (elektronskih parov). Tukaj pokažemo, da je vsako preslikavo med multigrafi, ki ohranja stopnje vozlišč, in zato vsako preslikavo atom-atom, mogoče generirati s cikličnim porivanjem elektronov. Poleg tega je vedno mogoče takšno pojasnilo razgraditi v diagrame porivanja elektronov, ki vključujejo le štiri pare elektronov. To posledično pomeni, da je vsako reakcijo mogoče razgraditi v zaporedje elementarnih reakcij, ki vključujejo največ dve izhodiščni molekuli in dve produktni molekuli. Torej, zahteva po mehanističnem pojasnilu v smislu porivanja elektronov in imaginarnih prehodnih stanj, ki vključujejo le majhno število vezi, ne predstavlja kombinatorične omejitve glede izvedljivosti hipotetičnih kemijskih reakcij"}],"edm:type":"TEXT","dc:type":[{"@xml:lang":"sl","#text":"znanstveno časopisje"},{"@xml:lang":"en","#text":"journals"},{"@rdf:resource":"http://www.wikidata.org/entity/Q361785"}]},"ore:Aggregation":{"@rdf:about":"http://www.dlib.si/?URN=URN:NBN:SI:doc-SE9R9Z11","edm:aggregatedCHO":{"@rdf:resource":"URN:NBN:SI:doc-SE9R9Z11"},"edm:isShownBy":{"@rdf:resource":"http://www.dlib.si/stream/URN:NBN:SI:doc-SE9R9Z11/d55ddc23-b049-4095-a713-cba7c47fd676/PDF"},"edm:rights":{"@rdf:resource":"http://creativecommons.org/licenses/by-sa/4.0/"},"edm:provider":"Slovenian National E-content Aggregator","edm:intermediateProvider":{"@xml:lang":"en","#text":"National and University Library of Slovenia"},"edm:dataProvider":{"@xml:lang":"sl","#text":"Univerza na Primorskem"},"edm:object":{"@rdf:resource":"http://www.dlib.si/streamdb/URN:NBN:SI:doc-SE9R9Z11/maxi/edm"},"edm:isShownAt":{"@rdf:resource":"http://www.dlib.si/details/URN:NBN:SI:doc-SE9R9Z11"}}}}