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Referenced by:
Manuscript title: NO3- Loss From Nitrate Adducts of Explosives by Thermal Decomposition in Tandem Ion Mobility Spectrometry And by Collision Induced Dissociation in Tandem Mass Spectrometry
Journal: Int. J. Mass spectrom.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Haack, Alexander | - |
dc.coverage.spatial | ES Barcelona | - |
dc.date.accessioned | 2023-11-10T08:14:32Z | - |
dc.date.available | 2024-03-06T20:34:26Z | - |
dc.date.created | 2023-11-10T09:14:29.939+01:00 | - |
dc.date.issued | 2023-11-10T09:14:29.939+01:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/313962 | - |
dc.description | OptFreq | - |
dc.publisher | Institute of Electrical Engineering and Measurement Technology, Leibniz University Hannover, Germany | - |
dc.relation | Original title: NO3- Loss From Nitrate Adducts of Explosives by Thermal Decomposition in Tandem Ion Mobility Spectrometry And by Collision Induced Dissociation in Tandem Mass Spectrometry DOI: 10.1016/j.ijms.2024.117235 Journal: Int. J. Mass spectrom. | * |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-306 | - |
dc.relation.uri | http://dx.doi.org/10.1016/j.ijms.2024.117235 | * |
dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.subject | Anions | - |
dc.subject | Gas-Phase Clusters | - |
dc.subject | non-covalent interactions | - |
dc.subject | Ion Mobility Spectrometry | - |
dc.title | 1NG_neut_C03_OptFreq | - |
dc.type | dataset | - |
dc.date.updated | 2023-11-10T08:14:31Z | - |
cml.program.name | Orca | en |
cml.program.version | 5.0.4 | en |
cml.program.other | RELEASE | en |
cml.basisset | def2-TZVPP | en |
cml.multiplicity | 1 | en |
cml.spintype | Restricted | en |
cml.charge | 0 | en |
cml.energy.value | -549.58938592 | en |
cml.energy.units | Eh | en |
cml.formula.generic | C3H7NO5 | en |
cml.calculationtype | Geometry optimization Minimum | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | true | en |
cml.numberofjobs | 1 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | Nitrate_Add - DOI: 10.19061/iochem-bd-6-306 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/313962