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Computational modelling in chemical engineering
(2008-08-27)
Computational modelling in chemical engineering: from science to technology
The Semantics of Chemical Markup Language (CML) for Computational Chemistry : CompChem
(2012-08-07)
AbstractThis paper introduces a subdomain chemistry format for storing computational chemistry data called CompChem. It has been developed based on the design, concepts and methodologies of Chemical Markup Language (CML) ...