Powered by OpenAIRE graph
Found an issue? Give us feedback
addClaim

Reaction Coordinates and Pathways of Mechanochemical Transformations

Authors: Stanislav M, Avdoshenko; Dmitrii E, Makarov;

Reaction Coordinates and Pathways of Mechanochemical Transformations

Abstract

The notions of a reaction path and a reaction coordinate are central to chemistry as they provide low-dimensional descriptions of complex molecular processes. Here we discuss how to define, compute, and use the reaction paths for chemical transformations in molecules that are subjected to mechanical stress and thus driven toward regions of conformational space that are otherwise inaccessible both in computational studies and in reality. We further show that the circuitous nature of mechanochemical pathways often makes their one-dimensional description impossible and describe how multidimensional effects can be detected experimentally.

Related Organizations
  • BIP!
    Impact byBIP!
    selected citations
    These citations are derived from selected sources.
    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    45
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Top 10%
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    Top 10%
    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
    Top 10%
Powered by OpenAIRE graph
Found an issue? Give us feedback
selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
45
Top 10%
Top 10%
Top 10%
Upload OA version
Are you the author of this publication? Upload your Open Access version to Zenodo!
It’s fast and easy, just two clicks!