Quantum chemical study on the alkali atom doped calix[4]arene as hydrogen storage material

Computational Materials Science

Volumn 49, Issue 4 SUPPL., 2010, Pages

  Venkataramanan, Natarajan Sathiyamoorthy ^a   Sahara, Ryoji ^a   Mizuseki, Hiroshi ^a   Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Alkali atom doping; Calix 4 arene; DFT; Hydrogen storage; Metal organic frameworks

Indexed keywords

ATOMS; BENZENE; BINDING ENERGY; CRYSTALLINE MATERIALS; GAS ADSORPTION; MOLECULES; ORGANOMETALLICS; PHENOLS; POSITIVE IONS; QUANTUM CHEMISTRY; TEMPERATURE;

ADSORPTION ENERGIES; ALKALI ATOM DOPING; CALIX[4]ARENES; HYDROGEN ADSORPTION; HYDROGEN MOLECULE; LOW TEMPERATURES; METAL ORGANIC FRAMEWORK; QUANTUM CHEMICAL STUDIES;

HYDROGEN STORAGE;

EID: 80053113612     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2010.01.028     Document Type: Conference Paper

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