In quantum mechanochemistry, quantum chemical methods are used to describe molecules
under the influence of an external force. The calculation of geometries, energies, transition …

The correlation of mechanical properties of polymer materials with those of their molecular
constituents is the foundation for their holistic comprehension and eventually for improved …

Glues are being used to bond, seal, and repair in industry and biomedicine. The
improvement of gluing performance is hence important for the development of new glues …

1, 4-Benzenedithiol (BDT)-bridged core–satellite assemblies, as surface-enhanced Raman
spectroscopy (SERS) mechanical probes, can be employed for real-time monitoring of the …

Mechanophores (MPs), stimuli-responsive molecules that respond chromatically to
mechanochemical reactions, are important for understanding the coupling between …

Mechanical forces acting on atoms or molecular groups can alter chemical kinetics and
decomposition paths. So called mechanochemistry has been proposed to influence a variety …

Pressure can be used to initiate a plethora of intriguing transformations and chemical
reactions. During the past 10 years or so, several quantum chemical methods have been …

A hitherto unexplored class of molecules for molecular force probe applications are
expanded porphyrins. This work proves that mechanical force is an effective stimulus to …

Spin state switching on external stimuli is a phenomenon with wide applicability, ranging
from molecular electronics to gas activation in nanoporous frameworks. Here, we model the …

Flex‐activated mechanophores can be used for small‐molecule release in polymers under
tension by rupture of covalent bonds that are orthogonal to the polymer main chain. Using …