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Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model

Rohr, Carsten and Gambra, Marta Balbas and Gruber, Kathrin and Hoehl, Cornelia and Malarek, Michael S. and Scherer, Lukas J. and Constable, Edwin C. and Franosch, Thomas and Hermann, Bianca A.. (2011) Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model. Chemical Communications, 47 (6). pp. 1800-1802.

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Official URL: http://edoc.unibas.ch/dok/A6056207

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Abstract

An interaction-site model can a priori predict molecular self-organisation on a new substrate in Monte Carlo simulations. This is experimentally confirmed with scanning tunnelling microscopy on Frechet dendrons of a pentacontane template. Local and global ordering motifs, inclusion molecules and a rotated unit cell are correctly predicted.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Anorganische Chemie (Constable)
UniBasel Contributors:Constable, Edwin Charles
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:Royal Society of Chemistry
ISSN:0022-4936
Note:Publication type according to Uni Basel Research Database: Journal article
Identification Number:
Last Modified:30 Nov 2016 10:28
Deposited On:01 Feb 2013 08:40

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