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Front Cover: Unveiling the Role of Macrodipolar Interactions in the Properties of Self‐Assembled Supramolecular Materials (Chem. Eur. J. 11/2018)
Author(s) -
Pereira Oliveira Marina,
Schmidt HansWerner,
Queiroz Albuquerque Rodrigo
Publication year - 2018
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201705334
Subject(s) - supramolecular chemistry , antiparallel (mathematics) , non covalent interactions , molecular dynamics , crystallography , materials science , chemical physics , cucurbituril , nanotechnology , chemistry , molecule , computational chemistry , physics , hydrogen bond , crystal structure , organic chemistry , quantum mechanics , magnetic field
Atomistic molecular dynamics simulations are an excellent tool for understanding the role of macrodipolar interactions on the properties of supramolecular materials. These simulations also complement X‐ray structural elucidations of noncovalent materials in general. Neighboring supramolecular columns can exhibit parallel or antiparallel macrodipoles of different magnitudes, which influences the phase‐transition disassembly mechanism. More information can be found in the Full Paper by R. Queiroz Albuquerque et al. on page 2609.