Multiple approach to model unpaired spin density effects in H-ZSM5 zeolite with extra-framework O atom: H-abstraction reaction from methane

Author(s)
Rutigliano, M.
Palma, A.
Date Issued
2015
Type
article
Volume
1074
Issue
1074
Start Page
9
End Page
18
DOI
ISSN
2210271
Journal
Handle
Conference(s)
COMPUTATIONAL AND THEORETICAL CHEMISTRY