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Theoretical Study of the Reaction Mechanism of Fe Atoms with H 2 O, H 2 S, O 2 and H +

โœ Scribed by Mebel, Alexander M.; Hwang, Der-Yan

Book ID
126855778
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
101 KB
Volume
105
Category
Article
ISSN
1089-5639

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Structuresof (HrO), (W20), H+(HaO)zo (HW20) and H+(HrO)rr (HW21) clusters were determined by applyingtheZemer's intermediate neglect of differential overlap self-consistent field unrestricted Hat-tree-Fock (ZINDO SCF UHF) method after appropriate parametrization and yield a dodecahedral arrangement