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Periodic DFT Study of the Effects of Co‐Crystallization on a N‐Salicylideneaniline Molecular Switch
Author(s) -
Quertinmont Jean,
Leyssens Tom,
Wouters Johan,
Champagne Benoît
Publication year - 2019
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201900885
Subject(s) - front cover , crystallization , chemistry , physics , solid state , cover (algebra) , crystallography , materials science , nanotechnology , thermodynamics , engineering , mechanical engineering
The front cover artwork is provided by the group of Benoît Champagne from the University of Namur. The image shows that in the solid state, a careful choice of the coformer can tune the relative stability of the keto‐enol equilibrium. This was assessed using periodic DFT calculations. Read the full text of the Article at 10.1002/cphc.201900463.