On the calculation of the dissociation rate constant of the water dimer by the ab initio anharmonic RRKM theory Article

Yao, L, He, RX, Mebel, AM et al. (2009). On the calculation of the dissociation rate constant of the water dimer by the ab initio anharmonic RRKM theory . CHEMICAL PHYSICS LETTERS, 470(4-6), 210-214. 10.1016/j.cplett.2009.01.074

keywords

  • BOND ORDER METHOD
  • CANONICAL VARIATIONAL CALCULATIONS
  • CLUSTERS
  • Chemistry
  • Chemistry, Physical
  • DENSITIES
  • DYNAMICAL NUCLEATION
  • MOLECULES
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • RAMAN-SPECTROSCOPY
  • STEEPEST-DESCENT
  • Science & Technology
  • TRANSITION-STATE THEORY
  • UNIMOLECULAR RATE CONSTANTS

Digital Object Identifier (DOI)

publisher

  • ELSEVIER SCIENCE BV

start page

  • 210

end page

  • 214

volume

  • 470

issue

  • 4-6