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Showing 1–3 of 3 results
Advanced filters: Author: Angela Violi Clear advanced filters

  • Unified structural descriptors of geometrical and graph-theoretical features are developed, allowing knowledge about protein lock-and-key complexes to be utilized to predict the formation of and interaction sites in protein–nanoparticle pairs.

    • Minjeong Cha
    • Emine Sumeyra Turali Emre
    • Nicholas A. Kotov
    Research
    Nature Computational Science
    Volume: 2, P: 243-252

  • Polycyclic aromatic hydrocarbons (PAHs) are the main precursors to soot particles in combustion systems, but the transition from gas-phase species to organic soot clusters is still not fully understood. Here, the authors study infant soot particles with mass spectrometry and kinetic Monte Carlo simulations and identify peri-condensed PAHs to be the most thermodynamically stable species.

    • Can Shao
    • Qi Wang
    • S. Mani Sarathy
    ResearchOpen Access
    Communications Chemistry
    Volume: 6, P: 1-8