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Manuscript title: A Molecular Engineering Approach to Conformationally Regulated Conductance Dualism in a Molecular Junction

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DC FieldValueLanguage
dc.contributor.authorBro-Jørgensen, William-
dc.date.accessioned2024-06-26T13:04:44Z-
dc.date.available2024-06-26T13:04:44Z-
dc.date.created2024-06-26T13:04:36.488349Z-
dc.date.issued2024-06-26T13:04:36.488349Z-
dc.identifier.urihttps://iochembd.chem.ku.dk/browse/handle/100/179-
dc.descriptionOptimized geometry of CBiPh_n-
dc.publisherNNF Quantum Computing Programme, Niels Bohr Institute, University of Copenhagen-
dc.publisherDepartment of Chemistry, University of Copenhagen-
dc.publisherDepartment of Chemistry, University of Konstanz-
dc.relationOriginal title: A Molecular Engineering Approach to Conformationally Regulated Conductance Dualism in a Molecular Junction*
dc.relation.ispartofhttp://dx.doi.org/10.19061/iochem-bd-9-8-
dc.rightsCC BY 4.0 (c) University of Copenhagen, 2024-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectsingle molecule-
dc.subjectmolecular electronics-
dc.subjectorganic synthesis-
dc.title/siesta_without_au CBiPh_n-
dc.typedataset-
dc.date.updated2024-06-26T13:04:43Z-
cml.program.nameSiestaen
cml.program.version5.0.0-alpha-76-gf0a1dd915en
cml.methodGGAPBEen
cml.charge0en
cml.formula.genericC38H30N2S2en
cml.calculationtypeGeometry optimizationen
Appears in Collections:conformational_dualism - DOI: 10.19061/iochem-bd-9-8



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