메뉴 건너뛰기




Volumn 161, Issue , 2012, Pages 168-178

Adsorption, reduction and storage of hydrogen within ZSM-5 zeolite exchanged with various ions: A comparative theoretical study

Author keywords

Adsorption capacity; Dispersion interactions; H 2 loading; Lewis acidity; Zeolite framework

Indexed keywords

ADSORPTION CAPACITIES; ADSORPTION ENERGIES; ADSORPTION STRENGTH; DENSITY FUNCTIONALS; DISPERSION INTERACTION; H-BONDS; HYDROGEN ADSORPTION; LEWIS ACIDITY; POSITIVE CHARGES; STORAGE OF HYDROGEN; SYSTEMATIC STUDY; THEORETICAL STUDY; VALENCE STATE; ZEOLITE LATTICE; ZSM-5 ZEOLITES;

EID: 84862701625     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2012.05.033     Document Type: Article
Times cited : (17)

References (69)
  • 50
    • 50249098941 scopus 로고    scopus 로고
    • In the NBO calculations, the la element was treated with the LanL2TZ(f) basis set. in the single-point energy calculations, the low-level region was described with the LanL2DZ basis set when the metal ion is LaIII
    • L.E. Roy, P.J. Hay, R.L. Martin, In the NBO calculations, the La element was treated with the LanL2TZ(f) basis set. In the single-point energy calculations, the low-level region was described with the LanL2DZ basis set when the metal ion is LaIII. J. Chem. Theory Comput. 4 (2008) 1029-1031.
    • (2008) J. Chem. Theory Comput , vol.4 , pp. 1029-1031
    • Roy, L.E.1    Hay, P.J.2    Martin, R.L.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.