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Volumn 16, Issue 24, 1997, Pages 5244-5251

Mechanism of the Ta+-mediated activation of the C-H bond in methane

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Indexed keywords


EID: 0001008138     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om970463m     Document Type: Article
Times cited : (34)

References (50)
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  • 47
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    • note
    • We note that this analysis is based on Kohn-Sham Orbitals, which in principle do not have the same physical significance as Hartree-Fock orbitals. Nevertheless, in most cases both sets of orbitals are very similar and yield the same qualitative conclusions.


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