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Asymmetric crystal growth of alpha-resorcinol from the vapor phase:surface reconstruction and conformational change are the culprits

Anwar, Jamshed and Chatchawalsaisin, Jittima and Kendrick, John (2007) Asymmetric crystal growth of alpha-resorcinol from the vapor phase:surface reconstruction and conformational change are the culprits. Angewandte Chemie International Edition, 46 (29). pp. 5537-5540. ISSN 1433-7851

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Abstract

Differential growth: The growth of crystals of α-resorcinol (see picture; C gray, H white, O red) from the vapor phase is asymmetric along the polar axis. By means of molecular-dynamics simulations, the slower growth at the (011) polar surface is traced back to conformational change of the molecule and to surface reconstruction, which may be a general phenomenon in polar crystals.

Item Type: Article
Journal or Publication Title: Angewandte Chemie International Edition
Uncontrolled Keywords: PACKAGE ; SOLVENT ; SOLIDS ; density functional calculations ; RIDDLE ; crystal growth ; TRANSITIONS ; polar crystals ; molecular dynamics ; SIMULATION ; resorcinol
Subjects:
Departments:
ID Code: 62193
Deposited By: ep_importer_pure
Deposited On: 13 Feb 2013 15:04
Refereed?: Yes
Published?: Published
Last Modified: 22 Nov 2017 22:47
Identification Number:
URI: http://eprints.lancs.ac.uk/id/eprint/62193

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