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Bobby G. Sumpter
Researcher at Oak Ridge National Laboratory
Publications - 652
Citations - 28014
Bobby G. Sumpter is an academic researcher from Oak Ridge National Laboratory. The author has contributed to research in topics: Polymer & Graphene. The author has an hindex of 60, co-authored 619 publications receiving 23583 citations. Previous affiliations of Bobby G. Sumpter include University of Florida & Cornell University.
Papers
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Treatment of multibody interactions in molecular simulations of systems with general bond networks
TL;DR: A completely general method for keeping track of stretch, bend, and torsion, wag, and other four‐body interactions for ANY bond network is presented.
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Full three-body primitive semiclassical treatment of H 2 +
TL;DR: In this article, it was shown that in the electronic ground state the electron is exchanged classically between the two nuclei and that this exchange is correlated with the molecular vibration, leading to the existence of a small (10%) contribution to the one-electron chemical bond.
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On the distribution of fragment sizes in the fragmentation of polymer chains
TL;DR: In this article, the fragmentation pattern of a single-step cleavage of a polymer is calculated using a simple model based on Transition State Theroy to describe the distribution of fragment sizes.
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Single-atom catalysts with anionic metal centers: Promising electrocatalysts for the oxygen reduction reaction and beyond
Jinxing Gu,Yinghe Zhao,Shiru Lin,Jingsong Huang,Carlos R. Cabrera,Bobby G. Sumpter,Zhongfang Chen +6 more
TL;DR: In this article, the authors proposed a simple guideline for designing anionic SACs: the metal centers should have larger electronegativity than the surrounding atoms in the substrate on which the metal atoms are supported.
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Benzo-homologated nucleobases in a nanotube-electrode set-up for DNA sequencing
TL;DR: The results suggest that benzo-homologated bases, despite having smaller HOMO-LUMO gaps than their natural counterparts, when non-covalently bound to the electrodes cannot be used to sequence DNA by means of conductivity measurements.