ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
STRUCT.fdfDownload
options.fdfDownload
output.cmlDownload
Referenced by:

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

Full metadata record
DC FieldValueLanguage
dc.contributor.authorBro-Jørgensen, William-
dc.date.accessioned2024-06-26T13:01:51Z-
dc.date.available2024-06-26T13:01:51Z-
dc.date.created2024-06-26T13:01:41.924322Z-
dc.date.issued2024-06-26T13:01:41.924322Z-
dc.identifier.urihttps://iochembd.chem.ku.dk/browse/handle/100/164-
dc.descriptionFrame in push sequence-
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/push_sequence 10-
dc.typedataset-
dc.date.updated2024-06-26T13:01:50Z-
cml.program.nameSiestaen
cml.program.version5.0.0-alpha-76-gf0a1dd915-dirtyen
cml.methodGGAPBEen
cml.charge0en
cml.formula.genericC45H42Au314N2S2en
cml.calculationtypeGeometry optimizationen
Appears in Collections:conformational_dualism - DOI: 10.19061/iochem-bd-9-8



Please use this identifier to cite or link to this item: https://iochembd.chem.ku.dk/browse/handle/100/164

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License