Mechanism and rate constants of the CH2 + CH2CO reactions in triplet and singlet states: A theoretical study Article

Savchenkova, Anna S, Semenikhin, Alexander S, Chechet, Ivan V et al. (2019). Mechanism and rate constants of the CH2 + CH2CO reactions in triplet and singlet states: A theoretical study . JOURNAL OF COMPUTATIONAL CHEMISTRY, 40(2), 387-399. 10.1002/jcc.25613

Open Access International Collaboration

cited authors

  • Savchenkova, Anna S; Semenikhin, Alexander S; Chechet, Ivan V; Matveev, Sergey G; Konnov, Alexander A; Mebel, Alexander M

sustainable development goals

authors

publication date

  • January 15, 2019

published in

keywords

  • AB-INITIO
  • ABSOLUTE RATE CONSTANTS
  • ATOMIC-HYDROGEN
  • Chemistry
  • Chemistry, Multidisciplinary
  • KETENE
  • MASTER EQUATION
  • POTENTIAL-ENERGY SURFACE
  • Physical Sciences
  • SPIN-FORBIDDEN REACTION
  • STATISTICAL RATE
  • Science & Technology
  • TEMPERATURE DEPENDENCES
  • THERMAL-DECOMPOSITION
  • ketene
  • methylene
  • potential energy surface
  • reaction rate constant
  • triplet-singlet crossing MSX

Digital Object Identifier (DOI)

publisher

  • WILEY

start page

  • 387

end page

  • 399

volume

  • 40

issue

  • 2