Molecular modelling of self-assembled alkynyl monolayer structures — Unnatural symmetry units, surface bonding, and topochemical polymerization1

Geometric modelling techniques are used to map the potential energies of packing for self-assembled alkyl- and phenyl-backboned monolayers across a range of intermolecular separations. Natural packing distances of 4.2–4.4 Å produce less stable, more isotropic monolayers because of repulsive intercha...

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Veröffentlicht in:	Canadian journal of chemistry 2003-11, Vol.81 (11), p.1228-1240
Hauptverfasser:	Dickie, Adam J, Kakkar, Ashok K, Whitehead, Michael A
Format:	Artikel
Sprache:	eng
Schlagworte:	Benzene Chemical bonds Chemical structure Computer simulation Crystals Energy Molecules Polymerization Polymers Silicon compounds Thin films
Online-Zugang:	Volltext
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