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Manuscript title: Hydration of the sulfate dianion in cold nanodroplets: SO42−(H2O)12 and SO42−(H2O)13

Journal: PCCP

DOI: 10.1039/c5cp02557e

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DC FieldValueLanguage
dc.contributor.authorOhanessian, Gilles-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2023-04-17T10:36:51Z-
dc.date.available2023-04-17T10:36:51Z-
dc.date.created2023-04-17T12:36:48.082+02:00-
dc.date.issued2023-04-17T12:36:48.082+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/286265-
dc.descriptionSulfate dianion with 12 water molecules, structure 2, extended basis energy-
dc.publisherCNRS-
dc.publisherEcole polytechnique-
dc.relationOriginal title: Hydration of the sulfate dianion in cold nanodroplets: SO42−(H2O)12 and SO42−(H2O)13 DOI: 10.1039/c5cp02557e Journal: PCCP-
dc.relation.urihttp://dx.doi.org/10.1039/c5cp02557e-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.titleW12-2-m11ext-
dc.typedataset-
dc.date.updated2023-04-17T10:36:50Z-
cml.program.nameGaussianen
cml.program.version09en
cml.program.otherAS64L-G09RevD.01en
cml.methodRM11en
cml.basissetAUG-CC-PVTZen
cml.multiplicity1en
cml.spintypeRestricteden
cml.shelltypeCloseden
cml.charge-2en
cml.energy.value-1616.7821137en
cml.energy.unitsEhen
cml.formula.genericH24O16Sen
cml.calculationtypeSingle point Structureen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
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Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/286265

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