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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Exploration of density functional methods for one-electron reduction potential of nitrobenzenes

Roman I Zubatyuk1, Leonid Gorb, Oleg V Shishkin

  • 1STC Institute for Single Crystals, National Academy of Sciences of Ukraine, Kharkov 61001, Ukraine.

Journal of Computational Chemistry
|May 8, 2009
PubMed

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