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DC FieldValueLanguage
cml.program.namevaspen
cml.program.version5.3.3en
cml.program.other18Dez12 (build Jun 6 2017 15:19:41) complexen
cml.shelltypeClosed shellen
cml.energy.value-162.25485736en
cml.energy.unitseVen
cml.formula.genericC10H14O3en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
cml.formula.smilesCOC1CC(CCCO)CCC1Oen
dc.contributor.authorLi, Qiang-
dc.contributor.otherInstitute of Chemical Research of Cataloniaen
dc.date.accessioned2017-10-17T11:34:47Z-
dc.date.accessioned2019-05-04T10:56:40Z-
dc.date.available2018-04-06T10:23:32Z-
dc.date.available2019-05-04T10:56:40Z-
dc.date.created2017-10-17T13:34:45.809+02:00-
dc.date.issued2017-10-17T13:34:45.809+02:00-
dc.identifier.urihttps://www.iochem-bd.org//handle/10/4703-
dc.descriptionG6-
dc.publisherInstitute of Chemical Research of Catalonia-
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-1-52-
dc.rightsCC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2017-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title/Solvation/eg G6-
dc.typedataset-
dc.date.updated2017-10-17T11:34:47Z-
Appears in Collections:lignin_depolymerization

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