Browse by Authors and Editors
Number of items: 3.
Aguado-Ullate, Sonia and Baker, J.A. and González-González, Vanessa and Müller, Christian and Hirst, J.D. and Carbó, Jorge J. (2014) A theoretical study of the activity in Rh-catalyzed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligand. Catalysis Science and Technology, 4 . pp. 979-987. ISSN 2044-4753
Baker, J.A. and Hirst, J.D. (2014) Accelerating electrostatic pair methods on graphical processing units to study molecules in supercritical carbon dioxide. Faraday Discussions, 169 . pp. 343-357. ISSN 1359-6640
Baker, J.A. and Hirst, J.D. (2011) Molecular dynamics simulations using graphics processing units. Molecular Informatics, 30 (6-7). 498 -504. ISSN 1868-1751