Designing Force Probes Based on Reversible 6π-Electrocyclizations in Polyenes Using Quantum Chemical Calculations
Author:
Affiliation:
1. Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050 Brussels, Belgium
2. Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 205A, D-69120 Heidelberg, Germany
Funder
Fonds Wetenschappelijk Onderzoek
German Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Organic Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.joc.1c00482
Reference88 articles.
1. Advances in Quantum Mechanochemistry: Electronic Structure Methods and Force Analysis
2. Covalent Mechanochemistry: Theoretical Concepts and Computational Tools with Applications to Molecular Nanomechanics
3. Mechanochemistry: The Mechanical Activation of Covalent Bonds
4. The cascade unzipping of ladderane reveals dynamic effects in mechanochemistry
5. Understanding the Mechanocatalytic Conversion of Biomass: A Low‐Energy One‐Step Reaction Mechanism by Applying Mechanical Force
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