Dataset:
Unprecedented correlation information reveals rotational resonances in the H2CO roaming reaction

dc.date.accessioned 2021-11-26T09:53:10Z
dc.date.available 2021-11-26T09:53:10Z
dc.date.issued 2020 en_US
dc.description.abstract Data archive for paper with title above, published in Science, 2020 en_US
dc.identifier.uri http://hdl.handle.net/1959.4/resource/collection/resdatac_1039/1
dc.language English
dc.language.iso EN en_US
dc.rights CC-BY-NC
dc.rights.uri https://creativecommons.org/licenses/by-nc/4.0/ en_US
dc.subject.other Molecular reaction dynamics en_US
dc.subject.other Photochemistry en_US
dc.subject.other Quantum Chemistry en_US
dc.subject.other Computational Chemistry en_US
dc.title Unprecedented correlation information reveals rotational resonances in the H2CO roaming reaction en_US
dc.type Dataset en_US
dcterms.accessRights open access
dcterms.accrualMethod A combination of laboratory data obtained at UNSW and computational data from Cornell and Emory Universities (with permission to archive). The experiments are laser photolysis experiments with ion imaging. The computational data are from quasi-classical trajectories run at Cornell/Emory en_US
dcterms.rights The computational data were generated at Cornell and Emory Universities by co-authors on the paper. The data are archived here with permission. en_US
dcterms.rightsHolder Copyright 2020, University of New South Wales en_US
dspace.entity.type Dataset en_US
unsw.accessRights.uri https://purl.org/coar/access_right/c_abf2
unsw.contributor.leadChiefInvestigator Kable, Scott
unsw.contributor.researchDataCreator Quinn, Mitchell en_US
unsw.contributor.researchDataCreator Nauta, Klaas en_US
unsw.contributor.researchDataCreator Jordan, Meredith en_US
unsw.contributor.researchDataCreator Bowman, Joel en_US
unsw.contributor.researchDataCreator Houston, Paul en_US
unsw.contributor.researchDataCreator Kable, Scott en_US
unsw.description.storageplace School of Chemistry, UNSW en_US
unsw.identifier.doi https://doi.org/10.26190/5f0e4db844041 en_US
unsw.relation.FunderRefNo DP190102013
unsw.relation.OriginalPublicationAffiliation Quinn, Mitchell, , UNSW PhD student at the time, en_US
unsw.relation.OriginalPublicationAffiliation Nauta, Klaas, School of Chemistry, Faculty of Science, en_US
unsw.relation.OriginalPublicationAffiliation Jordan, Meredith, , University of Sydney, en_US
unsw.relation.OriginalPublicationAffiliation Bowman, Joel, , Emory University, en_US
unsw.relation.OriginalPublicationAffiliation Houston, Paul, , Cornell University, en_US
unsw.relation.OriginalPublicationAffiliation Kable, Scott, School of Chemistry, Faculty of Science, en_US
unsw.relation.faculty Science
unsw.relation.fundingAgency AUSTRALIAN RESEARCH COUNCIL-DISCOVERY PROJECT
unsw.relation.fundingScheme DISCOVERY PROJECT
unsw.relation.projectDesc THIS PROJECT PROPOSES NOVEL SOLUTIONS TO TWO DEFICIENCIES IN CURRENT ATMOSPHERIC CHEMISTRY MODELS: MOLECULAR HYDROGEN, H2, IS UNDERESTIMATED BY UP TO A FACTOR OF 2 AND, IN POLLUTED AREAS, HO2 CONCENTRATIONS ARE UNDERESTIMATED BY UP TO A FACTOR OF 10. USING INNOVATIVE EXPERIMENTS AND THEORY, THESE SOLUTIONS WILL BE INVESTIGATED AND THEIR LOCAL AND GLOBAL ATMOSPHERIC IMPACT ASSESSED. BY BETTER CHARACTERISING THE ATMOSPHERIC H2 BUDGET, AND THE ROLE OF GROUND STATE REACTIONS IN GENERAL, THE PREDICTIVE ABILITY OF ATMOSPHERIC MODELS IS IMPROVED. THIS WILL ALLOW, FOR EXAMPLE, THE OUTCOMES OF ANY CHANGE IN ATMOSPHERIC H2 CONCENTRATION, POTENTIALLY AS PART OF ANY FUTURE HYDROGEN ECONOMY, TO BE PREDICTED BEFORE THEY OCCUR.
unsw.relation.projectEndDate 2022-06-30
unsw.relation.projectStartDate 2019-01-01
unsw.relation.projectTitle the forgotten role of the ground state in atmospheric photochemistry en_US
unsw.relation.school School of Chemistry
unsw.relation.school School of Chemistry
unsw.relation.unswGrantNo RG188978
unsw.subject.SEOcode 960202 Atmospheric Processes and Dynamics
unsw.subject.SEOcode 970103 Expanding Knowledge in the Chemical Sciences
unsw.subject.fieldofresearchcode 030703 Reaction Kinetics and Dynamics
unsw.subject.fieldofresearchcode 039901 Environmental Chemistry (incl. Atmospheric Chemistry)
unsw.subject.fieldofresearchcode 030606 Structural Chemistry and Spectroscopy
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