검색결과 : 4건
No. | Article |
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1 |
DFT investigation on adsorption of di-, tri- and tetra-atomic gases on Sc-doped ZnO sodalite like cage for gas sensing purpose Pipornpong W, Phunnarungsi S, Ruangpornvisuti V Materials Chemistry and Physics, 217, 63, 2018 |
2 |
An ab initio study on anionic aerogen bonds Esrafili MD, Mohammadian-Sabet F Chemical Physics Letters, 667, 337, 2017 |
3 |
NLO response of derivatives of benzene, stilbene and diphenylacetylene: MP2 and DFT calculations Elhorri AM, Zouaoui-Rabah M Chinese Journal of Chemical Engineering, 25(6), 800, 2017 |
4 |
Proton abstraction ability of MgO: a DFT cluster model study of the role of surface geometry Branda MM, Belelli PG, Ferullo RM, Castellani NJ Catalysis Today, 85(2-4), 153, 2003 |