First principles dynamics and minimum energy pathways for mechanochemical ring opening of cyclobutene.
about
Mechanical gating of a mechanochemical reaction cascadeMolecular engineering of mechanophore activity for stress-responsive polymeric materialsThe historical development of mechanochemistry.Stress-responsive polymers containing cyclobutane core mechanophores: reactivity and mechanistic insights.Chemomechanics: chemical kinetics for multiscale phenomena.Differences in the Abilities to Mechanically Eliminate Activation Energies for Unimolecular and Bimolecular Reactions.Combined Constant-Force and Constant-Velocity Single-Molecule Force Spectroscopy of the Conrotatory Ring Opening Reaction of Benzocyclobutene.Restricted Hartree Fock using complex-valued orbitals: a long-known but neglected tool in electronic structure theory.Theoretical simulation of the infrared signature of mechanically stressed polymer solids.Trapping a diradical transition state by mechanochemical polymer extension.Inducing and quantifying forbidden reactivity with single-molecule polymer mechanochemistry.Mechanically triggered heterolytic unzipping of a low-ceiling-temperature polymer.Mechanically induced silyl ester cleavage under acidic conditions investigated by AFM-based single-molecule force spectroscopy in the force-ramp mode.Comparison of the predictive performance of the Bell-Evans, Taylor-expansion and statistical-mechanics models of mechanochemistry.An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis.Mechanochemical unzipping of insulating polyladderene to semiconducting polyacetylene.Optomechanical Control of Quantum Yield in Trans-Cis Ultrafast Photoisomerization of a Retinal Chromophore Model.Ab initio simulations of bond breaking in sulfur crosslinked isoprene oligomer units.Polymer mechanochemistry: Up another rung.Reaction rates in a theory of mechanochemical pathways.Studying chemical reactivity in a virtual environment.Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces.A mechanochemical study of the effects of compression on a Diels-Alder reaction.Highly Sensitive Built-In Strain Sensors for Polymer Composites: Fluorescence Turn-On Response through Mechanochemical Activation.Perspective: Mechanochemistry of biological and synthetic molecules.A backbone lever-arm effect enhances polymer mechanochemistry.Mechanochemical Cycloreversion of Cyclobutane Observed at the Single Molecule Level.Force distribution analysis of mechanochemically reactive dimethylcyclobutene.Solvent-free mechanochemical route for green synthesis of pharmaceutically attractive phenol-hydrazonesOptomechanical Control of Quantum Yield in Trans -Cis Ultrafast Photoisomerization of a Retinal Chromophore ModelPinpointing Mechanochemical Bond Rupture by Embedding the Mechanophore into a MacrocycleA density functional theory model of mechanically activated silyl ester hydrolysis
P2860
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P2860
First principles dynamics and minimum energy pathways for mechanochemical ring opening of cyclobutene.
description
2009 nî lūn-bûn
@nan
2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
2009年學術文章
@zh
2009年學術文章
@zh-hant
name
First principles dynamics and ...... l ring opening of cyclobutene.
@en
First principles dynamics and ...... l ring opening of cyclobutene.
@nl
type
label
First principles dynamics and ...... l ring opening of cyclobutene.
@en
First principles dynamics and ...... l ring opening of cyclobutene.
@nl
prefLabel
First principles dynamics and ...... l ring opening of cyclobutene.
@en
First principles dynamics and ...... l ring opening of cyclobutene.
@nl
P2093
P356
P1476
First principles dynamics and ...... l ring opening of cyclobutene.
@en
P2093
Aaron M Virshup
Hongli Tao
Mitchell T Ong
P304
P356
10.1021/JA8095834
P407
P577
2009-05-01T00:00:00Z