Adsorption of NO, NO2, CO, H2O and CO2 over isolated monovalent cations in faujasite zeolite: a periodic DFT investigation

标题
Adsorption of NO, NO2, CO, H2O and CO2 over isolated monovalent cations in faujasite zeolite: a periodic DFT investigation
作者
关键词
NO<sub><em class="EmphasisTypeItalic ">x</em></sub>, Carbon monoxide, Water, Carbon dioxide, Adsorption energy, Porous material, Screening, Van der Waals, Diesel
出版物
THEORETICAL CHEMISTRY ACCOUNTS
Volume 137, Issue 12, Pages -
出版商
Springer Nature
发表日期
2018-11-02
DOI
10.1007/s00214-018-2373-2

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