Monte Carlo variational transition‐state theory study of recombination and desorption of hydrogen on Si(111)

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Monte Carlo variational transition‐state theory study of recombination and desorption of hydrogen on Si(111)

A variational transition‐state theory study of the recombination/desorption rate of H2 from a Si(111) surface using a previously described Monte Carlo procedure [J. Chem. Phys. 8 3, 1389 (1985)] is reported. The potential‐energy surface is expressed as the sum of a lattice potential, a lattice‐adato...

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Bibliographic Details
Main Author:	Ibrahim Ali , Noorbatcha
Format:	Article
Language:	English
Published:	American Institute of Physics (AIP) 1986
Subjects:	QD Chemistry
Online Access:	http://irep.iium.edu.my/35144/ http://irep.iium.edu.my/35144/1/JCP1986.pdf

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