Published in
Royal Society of Chemistry, Chemical Communications, 49(56), p. 6632-6635, 2020
DOI: 10.1039/d0cc01938k
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Solvation effects drive the selectivity in Diels-Alder reaction under hyperbaric conditions
Journal article published in 2020 by
Daniele Loco 
,
Ricardo Spezia ,
François Cartier,
Isabelle Chataigner ,
Jean-Philip Piquemal
,
Ricardo Spezia ,
François Cartier,
Isabelle Chataigner ,
Jean-Philip Piquemal
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Abstract
High pressure effects on the Diels–Alder reaction in condensed phase are investigated by means of theoretical methods, employing advanced multiscale modeling approaches based on physically grounded models.