Concepedia

Modelling of the adsorption of pharmaceutically active compounds on carbon-based nanomaterials

Klaudija Ivanković, Matej Kern, Marko Rožman

Journal of Hazardous Materials · 2021 · 44 citations · 54 references

DOI

Concepts

References

54

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu, Feiwu Chen · Journal of Computational Chemistry · 2011 · 43K citations

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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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Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar · The Journal of Physical Chemistry B · 2009 · 17.4K citations · Full text

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The biocompatibility of carbon nanotubes

Simon Smart, A. Ian Cassady, Gao Qing Lu et al. · Carbon · 2005 · 998 citations

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Understanding Aqueous Dispersibility of Graphene Oxide and Reduced Graphene Oxide through p<i>K</i><sub>a</sub> Measurements

Bharathi Konkena, S. Vasudevan · The Journal of Physical Chemistry Letters · 2012 · 886 citations

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