화학공학소재연구정보센터
검색결과 : 4건
No. Article
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