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