title: Time-dependent quantum study of H(2S) + FO(2Pi) --> OH(2Pi) + F(2P) reaction on the 1(3)A' and 1(3)A'' states.
abstract: The dynamics of the H((2)S) + FO((2)Pi) --> OH((2)Pi) + F((2)P) reaction on the adiabatic potential energy surface of the 1(3)A' and 1(3)A'' states is investigated. The initial state selected reaction probabilities for total angular momentum J = 0 have been calculated by using the quantum mechanical real wave packet method. The integral cross sections and initial state selected reaction rate constants have been obtained from the corresponding J = 0 reaction probabilities by means of the simple J-Shifting technique. The initial state-selected reaction probabilities and reaction cross section do not manifest any sharp oscillations and the initial state selected reaction rate constants are sensitive to the temperature.
authors.affiliation: Faculty Science and Arts, Department of Physics, Firat University, Elazig, Turkey. fgogtas@firat.edu.tr
authors.forename: Fahrettin
authors.initials: F
authors.lastname: Gogtas
authors.forename: Rukiye
authors.initials: R
authors.lastname: Tutuk
authors.forename: Mustafa
authors.initials: M
authors.lastname: Kurban
mesh_terms: D005459:Fluorides / Q000737:chemistry*; D006862:Hydrogen Sulfide / Q000737:chemistry*; D017665:Hydroxyl Radical / Q000737:chemistry; D056004:Molecular Dynamics Simulation; D010100:Oxygen / Q000737:chemistry*; D011789:Quantum Theory; D013997:Time Factors
chemical_list: D017665:Hydroxyl Radical; D005459:Fluorides; D010100:Oxygen; D006862:Hydrogen Sulfide