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Cover Feature: How Oriented External Electric Fields Modulate Reactivity (Chem. Eur. J. 18/2021)
Author(s) -
Yu Song,
Vermeeren Pascal,
Hamlin Trevor A.,
Bickelhaupt F. Matthias
Publication year - 2021
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202100126
Subject(s) - electric field , reactivity (psychology) , stereoselectivity , cover (algebra) , computation , chemistry , quantum chemical , selectivity , computational chemistry , catalysis , combinatorial chemistry , computer science , chemical physics , physics , organic chemistry , molecule , quantum mechanics , engineering , algorithm , medicine , mechanical engineering , alternative medicine , pathology
External electric fields can be used to control the reactivity and selectivity of chemical reactions. Using state‐of‐the‐art quantum chemical computations, this work provides a desperately needed causal model to explain how judiciously oriented external electric fields catalyze and steer the stereoselectivity of the Diels–Alder reactions. These results provide a complete framework for the design of novel electric field catalyzed organic reactions. More information can be found in the Full Paper by T. A. Hamlin, F. M. Bickelhaupt, et al. on page 5683.