Published 1991 | Version v1
Report Open

Mode selectivity in cluster-molecule interactions: Ni13 + D2

Creators

Description

Results of a detailed quasiclassical simulation study of the Ni13 + D2 collision system are presented. The dissociative adsorption of the molecule as well as its scattering from the cluster are analyzed as functions of the initial rovibrational molecular state, collision energy and structure of the cluster. Mode-specific features of the reactive and nonreactive channels of the cluster-molecule interaction are displayed and discussed. Evidence for resonances and for a strong cluster structure-reactivity correlation is presented. 13 refs., 6 figs

Availability note (English)

MF available from INIS under the Report Number; OSTI as DE91013352; NTIS; INIS; US Govt. Printing Office Dep.

Files

22081759.pdf

Files (275.7 kB)

Name Size Download all
md5:dbdd18c564f5988eaabbb13047d5ad7b
275.7 kB Preview Download

Additional details

Publishing Information

Imprint Pagination
13 p.
Report number
ANL/CP--73275

Conference

Title
24. Jerusalem symposium on quantum chemistry, mode-selective chemistry.
Dates
20-24 May 1991.
Place
Jerusalem (Israel).

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
22081759
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS; S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Resource subtype / Literary indicator
Conference, Numerical Data
Descriptors DEI
CATALYSIS; CHEMISORPTION; COMPUTERIZED SIMULATION; DEUTERIUM; DISSOCIATION; DYNAMICS; HAMILTONIAN FUNCTION; MOLECULE COLLISIONS; NICKEL; ROTATIONAL STATES; SOLID CLUSTERS; THEORETICAL DATA; VIBRATIONAL STATES
Descriptors DEC
CHEMICAL REACTIONS; COLLISIONS; DATA; ELEMENTS; ENERGY LEVELS; EXCITED STATES; FUNCTIONS; HYDROGEN ISOTOPES; INFORMATION; ISOTOPES; LIGHT NUCLEI; MECHANICS; METALS; NUCLEI; NUMERICAL DATA; ODD-ODD NUCLEI; SEPARATION PROCESSES; SIMULATION; STABLE ISOTOPES; TRANSITION ELEMENTS

Optional Information

Contract/Grant/Project number
Contract W-31109-ENG-38
Funding organization
USDOE, Washington, DC (USA).
Secondary number(s)
CONF-9105200--1.