Experimentally realized mechanochemistry distinct from force-accelerated scission of loaded bonds

Phenomenological and microscopic theories for catch bonds

(2017) Shaon Chakrabarti et al.   JOURNAL OF STRUCTURAL BIOLOGY

Advances in Quantum Mechanochemistry: Electronic Structure Methods and Force Analysis

(2016) Tim Stauch et al.   CHEMICAL REVIEWS

Unexpected mechanochemical complexity in the mechanistic scenarios of disulfide bond reduction in alkaline solution

(2016) Przemyslaw Dopieralski et al.   Nature Chemistry

Comment on T. Stauch, A. Dreuw, “Stiff-stilbene photoswitch ruptures bonds not by pulling but by local heating”, Phys. Chem. Chem. Phys., 2016, 18, 15848

(2016) Yancong Tian et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanical gating of a mechanochemical reaction cascade

(2016) Junpeng Wang et al.   Nature Communications

Relative Mechanical Strengths of Weak Bonds in Sonochemical Polymer Mechanochemistry

(2015) Bobin Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A density functional theory model of mechanically activated silyl ester hydrolysis

(2014) Michael F. Pill et al.   JOURNAL OF CHEMICAL PHYSICS

Mechanical Manipulation of Chemical Reactions: Reactivity Switching of Bergman Cyclizations

(2014) Martin Krupička et al.   Journal of Physical Chemistry Letters

Strain-Induced Strengthening of the Weakest Link: The Importance of Intermediate Geometry for the Outcome of Mechanochemical Reactions

(2014) Ramon Groote et al.   MACROMOLECULES

Mechanically triggered heterolytic unzipping of a low-ceiling-temperature polymer

(2014) Charles E. Diesendruck et al.   Nature Chemistry

Toughening Elastomers with Sacrificial Bonds and Watching Them Break

(2014) E. Ducrot et al.   SCIENCE

Model Studies of the Kinetics of Ester Hydrolysis under Stretching Force

(2013) Sergey Akbulatov et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molecular Catch Bonds and the Anti-Hammond Effect in Polymer Mechanochemistry

(2013) Sai Sriharsha M. Konda et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stress-Responsive Polymers Containing Cyclobutane Core Mechanophores: Reactivity and Mechanistic Insights

(2013) Zachary S. Kean et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

“Flex-Activated” Mechanophores: Using Polymer Mechanochemistry To Direct Bond Bending Activation

(2013) Michael B. Larsen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanochemical strengthening of a synthetic polymer in response to typically destructive shear forces

(2013) Ashley L. Black Ramirez et al.   Nature Chemistry

Model studies of force-dependent kinetics of multi-barrier reactions

(2013) Yancong Tian et al.   Nature Communications

Single-Molecule Force-Clamp Experiments Reveal Kinetics of Mechanically Activated Silyl Ester Hydrolysis

(2012) Sebastian W. Schmidt et al.   ACS Nano

Comparison of the predictive performance of the Bell–Evans, Taylor-expansion and statistical-mechanics models of mechanochemistry

(2012) Yancong Tian et al.   CHEMICAL COMMUNICATIONS

Covalent Mechanochemistry: Theoretical Concepts and Computational Tools with Applications to Molecular Nanomechanics

(2012) Jordi Ribas-Arino et al.   CHEMICAL REVIEWS

Quantum-Chemical Validation of the Local Assumption of Chemomechanics for a Unimolecular Reaction

(2012) Yancong Tian et al.   CHEMPHYSCHEM

Prediction of reaction barriers and force-induced instabilities under mechanochemical conditions with an approximate model: A case study of the ring opening of 1,3-cyclohexadiene

(2012) Adrian Bailey et al.   JOURNAL OF CHEMICAL PHYSICS

Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases

(2012) Aleksandr V. Marenich et al.   Journal of Chemical Theory and Computation

Force–Reactivity Property of a Single Monomer Is Sufficient To Predict the Micromechanical Behavior of Its Polymer

(2012) Sergey Akbulatov et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A tour of force

(2012) Stephen L. Craig   NATURE

Demonstrated leverage

(2012) Roman Boulatov   Nature Chemistry

Chemomechanics: chemical kinetics for multiscale phenomena

(2011) Zhen Huang et al.   CHEMICAL SOCIETY REVIEWS

Nucleophilic substitution reactions of diethyl 4-nitrophenyl phosphate triester: Kinetics and mechanism

(2011) Enrique A. Castro et al.   INTERNATIONAL JOURNAL OF CHEMICAL KINETICS

The physical chemistry of mechanoresponsive polymers

(2011) Timothy J. Kucharski et al.   JOURNAL OF MATERIALS CHEMISTRY

The Entropic and Enthalpic Contributions to Force-Dependent Dissociation Kinetics of the Pyrophosphate Bond

(2011) Matthew Hermes et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structure–Mechanochemical Activity Relationships for Cyclobutane Mechanophores

(2011) Matthew J. Kryger et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Strain-Dependent Acceleration of a Paradigmatic SN2 Reaction Accurately Predicted by the Force Formalism

(2010) Timothy J. Kucharski et al.   Journal of Physical Chemistry Letters

Free-Energy Surfaces for Liquid-Phase Reactions and Their Use To Study the Border Between Concerted and Nonconcerted α,β-Elimination Reactions of Esters and Thioesters

(2010) Yongho Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Stress Relief through a Force-Induced Irreversible Extension in Polymer Contour Length

(2010) Dong Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Single-Molecule Rupture Dynamics on Multidimensional Landscapes

(2010) Yohichi Suzuki et al.   PHYSICAL REVIEW LETTERS

Chemomechanics with molecular force probes

(2010) Zhen Huang et al.   PURE AND APPLIED CHEMISTRY

Kinetics of Thiol/Disulfide Exchange Correlate Weakly with the Restoring Force in the Disulfide Moiety

(2009) Timothy J. Kucharski et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A molecular force probe

(2009) Qing-Zheng Yang et al.   Nature Nanotechnology

Dynamic Strength of the Silicon−Carbon Bond Observed over Three Decades of Force-Loading Rates

(2008) Sebastian W. Schmidt et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY