The Computational Modelling Group publishes articles on research and teaching in the Preprint series
of the 'Cambridge Centre of Computational Chemical Engineering'. This series is registered at the
British Library with the International Standard Serial Number ISSN 1473-4273. The article title
and the corresponding reference can be found under the heading full listing in the menu. Each article
is displayed with a title and the corresponding reference, which should be used in that form if one
wishes to refer to that article. There is a hyperlink on each title which guides you to the abstract
and the PDF version of the full preprint. Most of the preprints are also published at a later date
in a peer-reviewed journal. In that case the reference of the journal article
is given below the preprint reference.
238: Understanding the anatase-rutile stability in flame-made TiO2
Manoel Y. Manuputty,
Markus Kraft, Technical Report 238, c4e-Preprint Series, Cambridge, 2019.
237: Topology of disordered 3D graphene networks
Jacob W. Martin,
Carla de Tomas,
Nigel Marks, Technical Report 237, c4e-Preprint Series, Cambridge, 2019.
236: Linking Reaction Mechanisms and Quantum Chemistry: An Ontological Approach
Markus Kraft, Technical Report 236, c4e-Preprint Series, Cambridge, 2019.
235: From data base to knowledge graph - using data in chemistry
Markus Kraft, Technical Report 235, c4e-Preprint Series, Cambridge, 2019.