qcscine/kinetx: Release 1.0.0
dc.contributor.author
Proppe, Jonny
dc.contributor.author
Reiher, Markus
dc.date.accessioned
2022-04-28T07:43:13Z
dc.date.available
2022-04-22T12:06:05Z
dc.date.available
2022-04-26T05:43:08Z
dc.date.available
2022-04-27T05:33:31Z
dc.date.available
2022-04-28T07:43:13Z
dc.date.issued
2022-04
dc.identifier.uri
http://hdl.handle.net/20.500.11850/543326
dc.identifier.doi
10.3929/ethz-b-000543326
dc.description.abstract
KiNetX is a fully automated kinetic modeler that takes careful account of uncertainty in reaction-network parameters (activation free energies or rate constants). The KiNetX meta-algorithm comprises systematic mechanism reduction, uncertainty propagation, global sensitivity analysis, and more.
en_US
dc.format
application/zip
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dc.format
text/plain
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dc.language.iso
en
en_US
dc.publisher
ETH Zurich, Laboratory of Physical Chemistry:
en_US
dc.rights.uri
https://opensource.org/licenses/BSD-3-Clause
dc.title
qcscine/kinetx: Release 1.0.0
en_US
dc.type
Software
dc.rights.license
BSD 3-Clause License
dc.date.published
2022-04-26
ethz.size
74.59 kB
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ethz.publication.place
Zurich
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ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02543 - Inst. f. Molekulare Physikalische Wiss. / Institute of Molecular Physical Science::03736 - Reiher, Markus / Reiher, Markus
en_US
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02543 - Inst. f. Molekulare Physikalische Wiss. / Institute of Molecular Physical Science::03736 - Reiher, Markus / Reiher, Markus
en_US
ethz.date.retentionend
indefinite
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ethz.date.retentionendDate
n/a
ethz.relation.isVariantFormOf
10.5281/ZENODO.6471956
ethz.date.deposited
2022-04-22T12:06:10Z
ethz.source
FORM
ethz.eth
yes
en_US
ethz.availability
Open access
en_US
ethz.rosetta.installDate
2022-04-27T05:34:10Z
ethz.rosetta.lastUpdated
2023-02-07T01:34:36Z
ethz.rosetta.exportRequired
true
ethz.rosetta.versionExported
true
ethz.COinS
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