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  3. Influence_of_Cys_Concentration_on_Binding_Mode_of_CdSe_CdS_QDs

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Manuscript title: Effect of chiral ligand concentration and binding mode on chiroptical activity of CdSe/CdS quantum dots

DOI: 10.1021/acsnano.9b07513

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DC FieldValueLanguage
dc.contributor.authorMates Torres, Eric-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2019-09-10T16:45:26Z-
dc.date.available2020-04-16T16:34:24Z-
dc.date.created2019-09-10T18:45:24.304+02:00-
dc.date.issued2019-09-10T18:45:24.304+02:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/193910-
dc.descriptionFiles for calculation of adsorption of 4 Cys, with initial dentation of the Cys molecules-
dc.publisherITMO University, St. Petersburg, Russia-
dc.publisherSchool of Chemistry, CRANN and AMBER Research Centres, Trinity College Dublin-
dc.relationOriginal title: Effect of chiral ligand concentration and binding mode on chiroptical activity of CdSe/CdS quantum dots DOI: 10.1021/acsnano.9b07513*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-6-20-
dc.relation.urihttp://dx.doi.org/10.1021/acsnano.9b07513*
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2019-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.title4_ads-m_m_m_m-1-
dc.typedataset-
dc.date.updated2019-09-10T16:45:26Z-
cml.program.namevaspen
cml.program.version5.4.1en
cml.program.other24Jun15 (build Jul 8 2016 11:28:16) complexen
cml.methodDFTen
cml.shelltypeClosed shellen
cml.energy.value-510.31680976en
cml.energy.unitseVen
cml.formula.genericC12H20Cd36N4O8S40en
cml.calculationtypeGeometry optimizationen
cml.hassolventfalseen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Influence_of_Cys_Concentration_on_Binding_Mode_of_CdSe_CdS_QDs - DOI: 10.19061/iochem-bd-6-20

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Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/193910

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