Re-examination of reversibility in reaction models for the spontaneous emergence of homochirality

Journal of Physical Chemistry B

Volumn 112, Issue 16, 2008, Pages 5098-5104

  Blackmond, Donna G ^a   Matar, Omar K ^a  

^a IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; CHEMICAL REACTIONS; LEAD; PHOTOCHEMICAL REACTIONS; RHENIUM;

AMERICAN CHEMICAL SOCIETY (ACS); CHEMICAL REACTION NETWORKS; CHEMICAL SYSTEMS; COMPUTATIONAL STUDIES; DRIVING FORCES; EXPERIMENTAL STUDIES; FUNDAMENTAL DIFFERENCES; HOMOCHIRALITY; IN ORDER; MASS FLOWS; MICROSCOPIC REVERSIBILITY; ONSAGER; REACTION MODELLING; REVERSIBLE CRYSTALLIZATION; REVERSIBLE REACTIONS; TRIANGLE (CO);

REACTION KINETICS;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; COMPUTER SIMULATION; NONLINEAR SYSTEM; STEREOISOMERISM;

CATALYSIS; COMPUTER SIMULATION; MODELS, CHEMICAL; MOLECULAR STRUCTURE; NONLINEAR DYNAMICS; STEREOISOMERISM;

EID: 45549100653     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7118586     Document Type: Article

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46. Modelling was carried out using Copasi simulator (official test release 1). (Copyright © 2005 by Pedro Mendes, Virginia Tech Intellectual Properties, Inc. and EML Research, gGmbH. All rights reserved.) www-.copasi.org. In addition, the ordinary differential equations (ODEs) describing the reaction models depicted in Schemes 1 and 3 were solved using Gear's method, which is an implicit, stable, multi-step ODE solver. These results were also cross-validated with those obtained using the commercial software Maple. See also: Hoops. S.; Sahle, S.; Gauges, R.; Lee, C.; Pahle, J.; Simus, N.; Singhal, M.; Xu, L.; Mendes, P.; Kummer, U. Bioinformatics 2006, 22, 3067-74.