Quantum Chemical Simulations of the Mechanical Activation of Pericyclic Reactions
Mechanochemistry, the use of mechanical stress to activate chemical reactions, has emerged as a significant area of interest in recent years. Two theoretical approaches have been developed to simulate mechanochemical processes: COnstrained Geometries Simulate External Force (COGEF) and External Forc...
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| Language: | en en |
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2011
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| Online Access: | http://hdl.handle.net/1974/6906 |