FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1972658306> ?p ?o ?g. }

• W1972658306 endingPage "S267" @default.
• W1972658306 startingPage "S263" @default.
• W1972658306 abstract "We have demonstrated that doping alkali cations in charged state can improve the hydrogen adsorption significantly in the molecular form. In addition, the number of hydrogen molecules adsorbed by Li cation doped benzene system was 3 while Na and K doped benzene were able to adsorb up to 6 hydrogen molecules. In general the adsorption energies of alkali atoms and the binding energy/H2 for hydrogen are underestimated by the hybrid B3LYP functional, while MP2 functional provides higher binding energy. The nature of interaction between hydrogen and the alkali center was mainly due to be dipole – quardupole and dipole – induced dipole electrostatic interaction. Further, we extended the present single benzene system to the curved calixarene system. The calixarene ring was able to adsorb up to five alkali atoms, one inside the cavity and 4 on the walls of the cavity and this system was capable to adsorb up to 30 H2 molecules in molecular form at low temperature." @default.
• W1972658306 created "2016-06-24" @default.
• W1972658306 creator A5012595422 @default.
• W1972658306 creator A5035224025 @default.
• W1972658306 creator A5076268103 @default.
• W1972658306 creator A5077895432 @default.
• W1972658306 date "2010-10-01" @default.
• W1972658306 modified "2023-09-25" @default.
• W1972658306 title "Quantum chemical study on the alkali atom doped calix[4]arene as hydrogen storage material" @default.
• W1972658306 cites W1967328563 @default.
• W1972658306 cites W1969513052 @default.
• W1972658306 cites W1973687047 @default.
• W1972658306 cites W1974538105 @default.
• W1972658306 cites W1976780288 @default.
• W1972658306 cites W1981062447 @default.
• W1972658306 cites W1985703900 @default.
• W1972658306 cites W1988075596 @default.
• W1972658306 cites W1998130455 @default.
• W1972658306 cites W2001816390 @default.
• W1972658306 cites W2018555827 @default.
• W1972658306 cites W2021834633 @default.
• W1972658306 cites W2030686702 @default.
• W1972658306 cites W2036105168 @default.
• W1972658306 cites W2037123182 @default.
• W1972658306 cites W2050011592 @default.
• W1972658306 cites W2054318266 @default.
• W1972658306 cites W2084165857 @default.
• W1972658306 cites W2089122575 @default.
• W1972658306 cites W2089961970 @default.
• W1972658306 cites W2090820998 @default.
• W1972658306 cites W2091704349 @default.
• W1972658306 cites W2111679657 @default.
• W1972658306 cites W2112426821 @default.
• W1972658306 cites W2142681205 @default.
• W1972658306 cites W2155586635 @default.
• W1972658306 cites W2167383445 @default.
• W1972658306 cites W2170995408 @default.
• W1972658306 cites W2307653205 @default.
• W1972658306 cites W4244995895 @default.
• W1972658306 doi "https://doi.org/10.1016/j.commatsci.2010.01.028" @default.
• W1972658306 hasPublicationYear "2010" @default.
• W1972658306 type Work @default.
• W1972658306 sameAs 1972658306 @default.
• W1972658306 citedByCount "7" @default.
• W1972658306 countsByYear W19726583062014 @default.
• W1972658306 countsByYear W19726583062015 @default.
• W1972658306 countsByYear W19726583062016 @default.
• W1972658306 countsByYear W19726583062017 @default.
• W1972658306 countsByYear W19726583062022 @default.
• W1972658306 crossrefType "journal-article" @default.
• W1972658306 hasAuthorship W1972658306A5012595422 @default.
• W1972658306 hasAuthorship W1972658306A5035224025 @default.
• W1972658306 hasAuthorship W1972658306A5076268103 @default.
• W1972658306 hasAuthorship W1972658306A5077895432 @default.
• W1972658306 hasConcept C112887158 @default.
• W1972658306 hasConcept C121332964 @default.
• W1972658306 hasConcept C147789679 @default.
• W1972658306 hasConcept C149635348 @default.
• W1972658306 hasConcept C150394285 @default.
• W1972658306 hasConcept C173523689 @default.
• W1972658306 hasConcept C178790620 @default.
• W1972658306 hasConcept C179104552 @default.
• W1972658306 hasConcept C184779094 @default.
• W1972658306 hasConcept C185592680 @default.
• W1972658306 hasConcept C192562407 @default.
• W1972658306 hasConcept C198091228 @default.
• W1972658306 hasConcept C2776640939 @default.
• W1972658306 hasConcept C2777691172 @default.
• W1972658306 hasConcept C2780263894 @default.
• W1972658306 hasConcept C32909587 @default.
• W1972658306 hasConcept C41008148 @default.
• W1972658306 hasConcept C49040817 @default.
• W1972658306 hasConcept C512968161 @default.
• W1972658306 hasConcept C57863236 @default.
• W1972658306 hasConcept C58312451 @default.
• W1972658306 hasConcept C68044625 @default.
• W1972658306 hasConcept C83263248 @default.
• W1972658306 hasConcept C93282013 @default.
• W1972658306 hasConceptScore W1972658306C112887158 @default.
• W1972658306 hasConceptScore W1972658306C121332964 @default.
• W1972658306 hasConceptScore W1972658306C147789679 @default.
• W1972658306 hasConceptScore W1972658306C149635348 @default.
• W1972658306 hasConceptScore W1972658306C150394285 @default.
• W1972658306 hasConceptScore W1972658306C173523689 @default.
• W1972658306 hasConceptScore W1972658306C178790620 @default.
• W1972658306 hasConceptScore W1972658306C179104552 @default.
• W1972658306 hasConceptScore W1972658306C184779094 @default.
• W1972658306 hasConceptScore W1972658306C185592680 @default.
• W1972658306 hasConceptScore W1972658306C192562407 @default.
• W1972658306 hasConceptScore W1972658306C198091228 @default.
• W1972658306 hasConceptScore W1972658306C2776640939 @default.
• W1972658306 hasConceptScore W1972658306C2777691172 @default.
• W1972658306 hasConceptScore W1972658306C2780263894 @default.
• W1972658306 hasConceptScore W1972658306C32909587 @default.
• W1972658306 hasConceptScore W1972658306C41008148 @default.
• W1972658306 hasConceptScore W1972658306C49040817 @default.
• W1972658306 hasConceptScore W1972658306C512968161 @default.
• W1972658306 hasConceptScore W1972658306C57863236 @default.

• next