Concepedia

Theoretical investigation on the alkali-metal doped BN fullerene as a material for hydrogen storage

Natarajan Sathiyamoorthy Venkataramanan, Rodion V. Belosludov, Ryunosuke Note, Ryoji Sahara, Hiroshi Mizuseki, Yoshiyuki Kawazoe

Chemical Physics · 2010 · 45 citations · 39 references

DOI

Concepts

References

39

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

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Improved grid‐based algorithm for Bader charge allocation

Edward Sanville, S.D. Kenny, Roger Smith et al. · Journal of Computational Chemistry · 2007 · 4.2K citations · Full text

, , +13

Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements

Georg Kresse, J. Häfner · Journal of Physics Condensed Matter · 1994 · 3.9K citations

, , +11

Hydrogen Storage in Single-Walled Carbon Nanotubes at Room Temperature

C. Liu, Yueying Fan, M. Liu et al. · Science · 1999 · 1.9K citations

, , +17

Adsorbents: fundamentals and applications

Focus on Catalysts · 2004 · 1.3K citations

, , +10