Concepedia

Hydrophilic Ionic Liquid Mixtures of Weakly and Strongly Coordinating Anions with and without Water

Roberto Macchieraldo, Lars Esser, Roman Elfgen, Pascal Voepel, Stefan Zahn, Bernd M. Smarsly, Barbara Kirchner

ACS Omega · 2018 · 43 citations · 88 references

DOIFull text

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Concepts

Abstract

is almost unperturbed; these effects mainly influence the interplay of the ionic liquid network.

References

88

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

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Effect of the damping function in dispersion corrected density functional theory

Stefan Grimme, Stephan Ehrlich, Lars Goerigk · Journal of Computational Chemistry · 2011 · 27.1K citations

, , +10

P<scp>ACKMOL</scp>: A package for building initial configurations for molecular dynamics simulations

Ricardo Andrade, Ernesto G. Birgin, J. M. Martı́nez · Journal of Computational Chemistry · 2009 · 9.4K citations · Full text

, , +17

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