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First-Principles Thermochemistry for Gas Phase Species in an Industrial Rutile Chlorinator, , , , , and . The Journal of Physical Chemistry A, 114 (43): 11825-11832 (2010)A global resource for computational chemistry, , , and . Journal of Molecular Modeling, 11 (6): 532-541 (2005)Engineering Polymer Informatics (Poster Presentation), , , , and . (2007)A semantic GRID for molecular science, , , , , , and . Proceedings of the 2003 UK e-Science All Hands Meeting, 31st August - 3rd September, page 802. Nottingham UK, (2003)CMLLite: a design philosophy for CML, and . J. Cheminf., 3 (1): 39 (2011)Chemical Markup, XML, and the World Wide Web. 1. Basic Principles, and . J. Chem. Inf. Comput. Sci., 39 (6): 928--942 (Nov 1, 1999)SPECTRa: The Deposition and Validation of Primary Chemistry Research Data in Digital Repositories, , , , , , , and . Journal of Chemical Information and Modeling, 48 (8): 1571-1581 (2008)A universal approach to web-based chemistry using XML and CML, , , and . Chemical Communications, (2000)The use of XML and CML in Computational Chemistry and Physics Programs, , and . (2004)Engineering Polymer Informatics: Towards the Computer-Aided Design of Polymers, and . Macromolecular Rapid Communications, 29 (8): 615-632 (2008)