The D sub 2 + Ni sub 13 reaction: Mode-specific and structure-specific features

Conference · Tue Jan 01 04:00:00 EST 1991

OSTI ID:6152993

Jellinek, J; Guevenc, Z B

Results of a quasiclassical simulation study pertaining to the qualitative and quantitative aspects of the mode-selectively and structure-reactivity correlation in the dissociative adsorption of a D{sub 2} molecule on a Ni{sub 13} cluster are presented. The role of resonances (molecularly adsorbed precursor states) in the reaction is discussed, and the resonances are characterized in terms of their formation probabilities and lifetimes. 12 refs., 2 figs., 1 tab.

• Research Organization: Argonne National Lab., IL (United States)
• Sponsoring Organization: DOE; USDOE, Washington, DC (United States)
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 6152993
• Report Number(s): ANL/CP-74627; CONF-911033--3; ON: DE92003483
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
664300 -- Atomic & Molecular Physics-- Collision Phenomena-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ADSORPTION
COMPUTERIZED SIMULATION
DEUTERIUM
DIFFERENTIAL EQUATIONS
ELEMENTS
ENERGY LEVELS
EQUATIONS
EXCITED STATES
HAMILTON-JACOBI EQUATIONS
HYDROGEN ISOTOPES
ISOTOPES
LIGHT NUCLEI
METALS
NICKEL
NUCLEI
ODD-ODD NUCLEI
PARTIAL DIFFERENTIAL EQUATIONS
SIMULATION
SOLID CLUSTERS
SORPTION
STABLE ISOTOPES
TRANSITION ELEMENTS