Bobby G Sumpter Theory and Computation Section Head, Center for Nanophase Materials Sciences Contact sumpterbg@ornl.gov | 865.574.4973 All Publications Links between through-bond interactions and assembly structure in simple piperidones ... An Atomistic Branching Mechanism for Carbon Nanotubes: Sulfur as triggering agent... Hetero-doped Nanotubes: Theory, Synthesis and Characterization of Phosphorus-Nitrogen Doped Multiwalled Carbon Nanotubes... Ab initio Study of Naptho-Homologated DNA Bases... A Combined Theoretical and Experimental Study of the Polymer Interchain Structure in Poly(phenylene vinylene) Derivatives... A New Class of Supramolecular Wires... Nitrogen-mediated Carbon Nanotube Growth: Diameter reduction, metallicity, bundle dispersability, and bamboo formation... The Use of Drug Discovery Tools in Rational Organometallic Catalyst Design... Structure and Stability of Small Boron and Boron Oxide Clusters... Benzo-homologated nucleobases in a nanotube-electrodes setup for DNA sequencing... First principles study of magnetism in nanographenes... Electronic structure of xDNA... Tuning the electronic properties of coaxial nanoscale cables through chemical doping... The unique chemical reactivity of a graphene nanoribbon's zigzag edge... Tuning the conductance of carbon nanotubes with encapsulated molecules... Investigation of the Nanoscale Self-Assembly of Donor-sigma-Acceptor Molecules... A Toxicity Evaluation and Predictive System Based on Neural Networks and Wavelets... Solid-State Combustion of Metallic Nanoparticles: New Possibilities for an Alternative Energy Carrier... Theoretical study on the structure, stability, and electronic properties of the guanine-Zn-cytosine base pair in M-DNA ... Non-volatile memory elements based on the intercalation of organic molecules inside carbon nanotubes... Electronic Structure Investigation of Surface-Adsorbate and Adsorbate-Adsorbate Interactions in Multilayers of CH<sub>4</sub>... How do aryl groups attach to a graphene sheet?... Density Functional Investigation of the Adsorption of a Methane Monolayer on an Mg(100) Surface... Olefin Adsorption on Silica-Supported Silver Salts - A DFT Study... Structure and bonding between an aryl group and metal surfaces... Pagination First page « First Previous page ‹‹ … Page 18 Current page 19 Page 20 Next page ›› Last page Last » Key Links Curriculum Vitae Google Scholar ORCID Organizations Physical Sciences Directorate User Facilities Center for Nanophase Materials Sciences Theory & Computation Section Nanomaterials Theory Institute Group Data NanoAnalytics Group