299 citations · 2.8k across the 45 of their papers we have counts for
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Anomalous Optoelectronic Properties of Chiral Carbon Nanorings...and One Ring to Rule Them All
Bryan M. Wong, Jonathan W. Lee
Carbon nanorings are hoop-shaped, π-conjugated macrocycles which form the fundamental annular segments of single-walled carbon nanotubes (SWNTs). In a very recent report, the struc…
Electronic Properties of Vinylene-Linked Heterocyclic Conducting Polymers: Predictive Design and Rational Guidance from DFT Calculations
Bryan M. Wong, Joseph G. Cordaro
The band structure and electronic properties in a series of vinylene-linked heterocyclic conducting polymers are investigated using density functional theory (DFT). In order to acc…
Self-assembled cyclic oligothiophene nanotubes: electronic properties from a dispersion-corrected hybrid functional
Bryan M. Wong, Simon H. Ye
The band structure and size-scaling of electronic properties in self-assembled cyclic oligothiophene nanotubes are investigated using density functional theory (DFT) for the first…
Nanoscale Effects on Heterojunction Electron Gases in GaN/AlGaN Core/Shell Nanowires
Bryan M. Wong, François Léonard, Qiming Li +1
The electronic properties of heterojunction electron gases formed in GaN/AlGaN core/shell nanowires with hexagonal and triangular cross-sections are studied theoretically. We show…
Thermochemistry of Alane Complexes for Hydrogen Storage: A Theoretical and Experimental Comparison
Bryan M. Wong, David Lacina, Ida M. B. Nielsen +2
Knowledge of the relative stabilities of alane (AlH3) complexes with electron donors is essential for identifying hydrogen storage materials for vehicular applications that can be…
Electronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated Ab Initio Methods
Karina Kornobis, Neeraj Kumar, Bryan M. Wong +5
Time-dependent density functional theory (TD-DFT) and correlated ab initio methods have been applied to the electronically excited states of vitamin B12 (cyanocobalamin or CNCbl).…