Concepedia

High energy storage of Li-ions on keggin-type polyoxometalate as electrodes for rechargeable lithium batteries

Marimuthu Priyadarshini, Swaminathan Shanmugan, Kiran Preethi Kirubakaran, Anoopa Thomas, Muthuramalingam Prakash, Chenrayan Senthil, Chang Woo Lee, Kumaran Vediappan

Journal of Physics and Chemistry of Solids · 2020 · 29 citations · 45 references

DOI

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45

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

, , +14

Separable dual-space Gaussian pseudopotentials

Stefan Goedecker, M. P. Teter, Jürg Hutter · Physical review. B, Condensed matter · 1996 · 7.4K citations · Full text

, , +16

Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

Joost VandeVondele, Matthias Krack, Fawzi Mohamed et al. · Computer Physics Communications · 2005 · 5.7K citations · Full text

, , +14

Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases

Joost VandeVondele, Jürg Hutter · The Journal of Chemical Physics · 2007 · 4.6K citations · Full text

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