001031421 001__ 1031421 001031421 005__ 20250811131422.0 001031421 0247_ $$2doi$$a10.26165/JUELICH-DATA/ZGIZV3 001031421 037__ $$aFZJ-2024-05652 001031421 1001_ $$0P:(DE-Juel1)167140$$aVereecken, Luc$$b0 001031421 245__ $$aReplication Data for: H-shift and Cyclization Reactions in Unsaturated Alkylperoxy Radicals near Room Temperature: propagating or terminating autoxidation ? 001031421 260__ $$bJülich DATA$$c2024 001031421 3367_ $$2BibTeX$$aMISC 001031421 3367_ $$0PUB:(DE-HGF)32$$2PUB:(DE-HGF)$$aDataset$$bdataset$$mdataset$$s1754910058_29613 001031421 3367_ $$026$$2EndNote$$aChart or Table 001031421 3367_ $$2DataCite$$aDataset 001031421 3367_ $$2ORCID$$aDATA_SET 001031421 3367_ $$2DINI$$aResearchData 001031421 520__ $$aQuantum chemical data used for the theoretical kinetic data, including geometries and vibrational wavenumbers at the M06-2X-D3/aug-cc-pVTZ and M06-2X/aug-cc-pVTZ levels of theory, and energies at methodologies up to CCSD(T)/aug-cc-pVTZ 001031421 536__ $$0G:(DE-HGF)POF4-2111$$a2111 - Air Quality (POF4-211)$$cPOF4-211$$fPOF IV$$x0 001031421 588__ $$aDataset connected to DataCite 001031421 773__ $$a10.26165/JUELICH-DATA/ZGIZV3 001031421 909CO $$ooai:juser.fz-juelich.de:1031421$$pVDB 001031421 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)167140$$aForschungszentrum Jülich$$b0$$kFZJ 001031421 9131_ $$0G:(DE-HGF)POF4-211$$1G:(DE-HGF)POF4-210$$2G:(DE-HGF)POF4-200$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-2111$$aDE-HGF$$bForschungsbereich Erde und Umwelt$$lErde im Wandel – Unsere Zukunft nachhaltig gestalten$$vDie Atmosphäre im globalen Wandel$$x0 001031421 9141_ $$y2024 001031421 9201_ $$0I:(DE-Juel1)ICE-3-20101013$$kICE-3$$lTroposphäre$$x0 001031421 980__ $$adataset 001031421 980__ $$aVDB 001031421 980__ $$aI:(DE-Juel1)ICE-3-20101013 001031421 980__ $$aUNRESTRICTED