Search results for: ATOM TUNNELING

• Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction

  Publication

  • F. Shahsavar
  • E. Zahedi
  • A. Shiroudi
  • B. Chahkandi

  - JOURNAL OF MOLECULAR GRAPHICS & MODELLING - Year 2023

  Density functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...

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• Tip-Based Nanofabrication as a Rapid Prototyping Tool for Quantum Science and Technology

  Publication

  • A. Herman

  - Reviews in Theoretical Science - Year 2013

  Tip-Based Nanofabication as a Rapid Prototyping Tool for Quantum Science and Technology discusses the development of cantilevered nanotips techniques of quantum devices prototyping and how they evolved from scanning probe microscopy. Also covered are the advantages and future prospects of atomic resolution capability and how to use this enabling technology as a rapid prototyping tool for quantum science and technology.

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