๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

EXAFS atomic distributions in model clusters of Pd and Pt

โœ Scribed by Yu.L. Slovokhotov; D.I. Kochubei

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
132 KB
Volume
208-209
Category
Article
ISSN
0921-4526

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

On modeling chemisorption processes with
On modeling chemisorption processes with metal cluster systems II. Model atomic potentials and site specificity of N atom chemisorption on Pd(111)
โœ Harrell Sellers ๐Ÿ“‚ Article ๐Ÿ“… 1991 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 686 KB

We present a convenient method of treating bulk metal atoms that are distant from the chemisorption site in ab initio MO calculations and present example calculations for S and N chemisorption on Pd( 11 I ). We present additional RECP Hartree-Fock+ PT2 calculations on the N-Pd( 1 I I ) system in an