SSM Konda, JN Brantley, CW Bielawski… - The Journal of chemical …, 2011 - pubs.aip.org
A number of recent studies have shown that mechanical stress can significantly lower or raise the activation barrier of a chemical reaction. Within a common approximation due to …
DE Makarov - The Journal of chemical physics, 2016 - pubs.aip.org
Coupling of mechanical forces and chemical transformations is central to the biophysics of molecular machines, polymer chemistry, fracture mechanics, tribology, and other disciplines …
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 …
We propose a method for computing the activation barrier for chemical reactions involving molecules subjected to mechanical stress. The method avoids reactant and transition-state …
P Cossio, G Hummer, A Szabo - Biophysical journal, 2016 - cell.com
Ductile materials can absorb spikes in mechanical force, whereas brittle ones fail catastrophically. Here we develop a theory to quantify the kinetic ductility of single molecules …
DJ Wales, T Head-Gordon - The Journal of Physical Chemistry B, 2012 - ACS Publications
The energy landscape is analyzed for off-lattice bead models of protein L and protein G as a function of a static pulling force. Two different pairs of attachment points (pulling directions) …
In covalent mechanochemistry, precise application of mechanical stress to molecules of interest (“mechanophores”) is used to induce to promote desired reaction pathways …
The relevant parts of the microstructure participating in the plastic deformation of glassy polystyrene are identified. This is achieved by performing quasi‐static deformation …
MK Chaudhury, PS Goohpattader - The European Physical Journal E, 2012 - Springer
Adhesive forces are capable of deforming a soft elastic object when it comes in contact with a flat rigid substrate. The contact is in stable equilibrium if the total energy of the system …