Concepedia

Tailoring a suitable partner system for cholinium cation to build effective solvents for biomass deconstruction

Xue‐Dan Hou, Guojian Feng, Zishi Chen, Hongjie Wu, Hengyun Zhao, Shilin Cao, Jason P. Hallett

Green Chemistry · 2024 · 13 citations · 55 references

DOI

Concepts

Abstract

Comparative study of cholinium based solvents for biomass deconstruction by theoretical calculation and simulation.

References

55

Multiwfn: A multifunctional wavefunction analyzer

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

, , +15

GROMACS: Fast, flexible, and free

David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations

, , +17

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

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Deep Eutectic Solvents Formed between Choline Chloride and Carboxylic Acids:  Versatile Alternatives to Ionic Liquids

Andrew P. Abbott, D Boothby, Glen Capper et al. · Journal of the American Chemical Society · 2004 · 4.2K citations

, , +17

From weak to strong interactions: A comprehensive analysis of the topological and energetic properties of the electron density distribution involving X–H⋯F–Y systems

Enrique Espinosa, Ibón Alkorta, José Elguero et al. · The Journal of Chemical Physics · 2002 · 1.9K citations

, , +17