Mechanism of E-bridge formation by various PAH molecules: A theoretical study Article

Savchenkova, Anna S, Semenikhin, Alexander S, V. Chechet, Ivan et al. (2022). Mechanism of E-bridge formation by various PAH molecules: A theoretical study . CHEMICAL PHYSICS LETTERS, 799 10.1016/j.cplett.2022.139637

Open Access International Collaboration

cited authors

  • Savchenkova, Anna S; Semenikhin, Alexander S; V. Chechet, Ivan; Matveev, Sergey G; Frenklach, Michael; Morozov, Alexander N; Mebel, Alexander M

authors

publication date

  • July 16, 2022

published in

keywords

  • Chemistry
  • Chemistry, Physical
  • DENSITY FUNCTIONALS
  • DYNAMICS
  • Dimerization mechanism
  • E-bridge formation
  • NUCLEATION
  • ONIOM method
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • Polycyclic aromatic hydrocarbons
  • Potential energy surface
  • SOOT FORMATION
  • Science & Technology

Digital Object Identifier (DOI)

publisher

  • ELSEVIER

volume

  • 799