Concepedia

A novel interaction mechanism in lignin pyrolysis: Phenolics-assisted hydrogen transfer for the decomposition of the β-O-4 linkage

Qiang Lü, Wen-luan Xie, Bin Hu, Ji Liu, Wei Zhao, Bing Zhang, Tipeng Wang

Combustion and Flame · 2020 · 73 citations · 40 references

DOI

Concepts

References

40

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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Multiwfn: A multifunctional wavefunction analyzer

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

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The electrostatic potential: an overview

Jane S. Murray, Peter Politzer · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 1.8K citations

, , +14

Computational Study of Bond Dissociation Enthalpies for a Large Range of Native and Modified Lignins

Seonah Kim, Stephen C. Chmely, Mark R. Nimlos et al. · The Journal of Physical Chemistry Letters · 2011 · 425 citations

, , +16

Theoretical Study of the Remarkably Diverse Linkages in Lignin

Ramakrishnan Parthasarathi, Antonio Redondo, S. Gnanakaran · The Journal of Physical Chemistry Letters · 2011 · 423 citations

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