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Ab initio calculations performed on carbon monoxide adsorption on the iron(100) surface and complementing theoretical techniques
Posted on:
1993-07-20
Degree:
Ph.D
Type:
Dissertation
University:
University of Hawai'i at Manoa
Candidate:
Meehan, Timothy Erickson
Full Text:
PDF
GTID:
1471390014497045
Subject:
Chemistry
Abstract/Summary:
Unrestricted Hartree-Fock calculations were performed on Fe;Due to problems with SCF convergence incurred during the Fe...
Keywords/Search Tags:
Calculations
,
Performed
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