<?xml version='1.0' encoding='utf-8'?> <oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd"> <dc:creator>Mishra, Shantanu</dc:creator> <dc:creator>Pignedoli, Carlo Antonio</dc:creator> <dc:creator>Fasel, Roman</dc:creator> <dc:date>2019-04-07</dc:date> <dc:description>The data contained in this record, raw data of images and input files to reproduce calculations, support our recent report for the on-surface synthesis and characterization of two ultralow-gap open-shell molecules, namely peri-tetracene, a benzenoid graphene fragment with zigzag edge topology, and dibenzo[a,m]dicyclohepta[bcde,nopq]rubicene, a nonbenzenoid nonalternant structural isomer of peri-tetracene with two embedded azulene units. Our results provide an understanding of the ramifications of altered bond topologies at the single-molecule scale, with the prospect of designing functionalities in carbon-based nanostructures via engineering of bond topology </dc:description> <dc:identifier>https://archive.materialscloud.org/record/2019.0012/v1</dc:identifier> <dc:identifier>doi:10.24435/materialscloud:2019.0012/v1</dc:identifier> <dc:identifier>mcid:2019.0012/v1</dc:identifier> <dc:identifier>oai:materialscloud.org:111</dc:identifier> <dc:language>en</dc:language> <dc:publisher>Materials Cloud</dc:publisher> <dc:rights>info:eu-repo/semantics/openAccess</dc:rights> <dc:rights>Creative Commons Attribution 4.0 International https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights> <dc:subject>density functional theory</dc:subject> <dc:subject>MARVEL/DD3</dc:subject> <dc:subject>scanning tunneling microscopy</dc:subject> <dc:subject>scanning tunneling spectroscopy</dc:subject> <dc:subject>open-shell polycyclic aromatic hydrocarbons</dc:subject> <dc:subject>nonalternant polycyclic aromatic hydrocarbons</dc:subject> <dc:subject>atom manipulation</dc:subject> <dc:title>Tailoring Bond Topologies in Open-Shell Graphene Nanostructures</dc:title> <dc:type>Dataset</dc:type> </oai_dc:dc>