Activation of methane by neutral transition metal oxides (ScO, NiO, and PdO): A theoretical study Article

Hwang, DY, Mebel, AM. (2002). Activation of methane by neutral transition metal oxides (ScO, NiO, and PdO): A theoretical study . JOURNAL OF PHYSICAL CHEMISTRY A, 106(50), 12072-12083. 10.1021/jp026414r

Open Access

cited authors

  • Hwang, DY; Mebel, AM

authors

publication date

  • December 19, 2002

published in

keywords

  • 2-STATE REACTIVITY
  • AB-INITIO
  • BASIS-SETS
  • C-H ACTIVATION
  • CARBON-DIOXIDE
  • Chemistry
  • Chemistry, Physical
  • INFRARED-SPECTRA
  • MATRIX-ISOLATION FTIR
  • MOLECULAR CALCULATIONS
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • REACTION-MECHANISM
  • REACTION-PATH
  • Science & Technology

Digital Object Identifier (DOI)

publisher

  • AMER CHEMICAL SOC

start page

  • 12072

end page

  • 12083

volume

  • 106

issue

  • 50