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Density Functional Theory Studies of Thermal Activation of Methane by MH + (M = Ru, Rh, and Pd)

✍ Scribed by Li, Wenqiang; Geng, Zhiyuan; Wang, Yongcheng; Yan, PenJi; Zhang, Xu; Wang, Zheng; Liu, Fengxia

Book ID: 127349470
Publisher: American Chemical Society
Year: 2009
Tongue: English
Weight: 368 KB
Volume: 113
Category: Article
ISSN: 1089-5639
DOI: 10.1021/jp808830c

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## Abstract A combined method of density functional theory (DFT) and statistics integral equation (SIE) for the determination of the pore size distribution (PSD) is developed based on the experimental adsorption data of nitrogen on activated mesocarbon microbead (AMCMB) at 77 K. The pores of AMCMB