Output details
15 - General Engineering
Nottingham Trent University
B3LYP calculations of cerium oxides
Tested and assessed aspects of computational methods for industrially important cerium oxides, featured in invited talks at 8th European Conference on Computational Chemistry 25-28 Aug 2010, Lund Sweden, 2010 http://www.certh.gr/B1613028.en.aspx and Theory and Applications of Computational Chemistry - TACC 2012 Pavia 3-7th Sept (2012) 2012 http://www.tacc2012.org/. Used to justify method work done by several groups worldwide, eg. Eur. J. Inorg. Chem. 2013, 2432 (2013); J. Comp. Chem. 32, 620 (2010); J. Phys. Chem. C 114, 21411 (2010); Phys. Chem. Chem. Phys. 13, 22 (2011). Also used to support further funding: “Vetenskapsrådet” grant 2012-3906 worth 2,700,000SKr, and 24,000Euro Hanse-Wissenschaftskolleg fellowship.