Concepedia

Electronic structure calculations and molecular dynamics simulations of hydrogen adsorption on Beryllium doped complexes

Amol Deshmukh, Ravinder Konda, Elby Titus, Ajay Chaudhari

International Journal of Hydrogen Energy · 2017 · 17 citations · 28 references

DOI

Concepts

References

28

CRC Handbook of Chemistry and Physics

Devendra Leena P · Journal of Molecular Structure · 1992 · 9.4K citations

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<i>Ab initio</i> studies of cyclic water clusters (H2O)<i>n</i>, <i>n</i>=1–6. II. Analysis of many-body interactions

Sotiris S. Xantheas · The Journal of Chemical Physics · 1994 · 713 citations

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<i>Ab initio</i> molecular dynamics: Propagating the density matrix with Gaussian orbitals. III. Comparison with Born–Oppenheimer dynamics

H. Bernhard Schlegel, Srinivasan S. Iyengar, Xiaosong Li et al. · The Journal of Chemical Physics · 2002 · 512 citations

, , +17

<i>Ab initio</i> studies of cyclic water clusters (H2O)<i>n</i>, <i>n</i>=1–6. III. Comparison of density functional with MP2 results

Sotiris S. Xantheas · The Journal of Chemical Physics · 1995 · 406 citations

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Transition-Metal-Ethylene Complexes as High-Capacity Hydrogen-Storage Media

Engin Durgun, S. Çiraci, Wei Zhou et al. · Physical Review Letters · 2006 · 325 citations · Full text

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