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Number of items: 6.
Article
| Alfredsson, Maria and Cora, Furio and Dobson, David P. and Davy, James and Brodholt, John P. and Parker, Steve C. and Price, G. David (2007) Dopant control over the crystal morphology of ceramic materials. Surface Science, 601 (21). pp. 4793-4800. ISSN 0039-6028. (doi:https://doi.org/10.1016/j.susc.2007.07.025) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Alfredsson, Maria and Cora, Furio and Brodholt, John P. and Parker, Steve C. and Price, G. David (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 in the presence of divalent impurity ions. Physics and Chemistry of Minerals, 32 (5-6). pp. 379-387. ISSN 0342-1791. (doi:https://doi.org/10.1007/s00269-005-0009-2) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Alfredsson, Maria and Brodholt, John P. and Wilson, P.B. and Price, G. David and Cora, Furio and Calleja, A. and Bruin, R. and Blanshard, L.J. and Tyer, R.P. (2005) Structural and magnetic phase transitions in simple oxides using hybrid functionals. Molecular Simulation, 31 (5). pp. 367-377. ISSN 0892-7022. (doi:https://doi.org/10.1080/08927020500066684) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Cora, Furio and Alfredsson, Maria and Barker, Carolyn M. and Bell, Rob G. and Foster, Martin D. and Saadoune, Iman and Simperler, Alexandra and Catlow, C. Richard A. (2003) Modeling the framework stability and catalytic activity of pure and transition metal-doped zeotypes. Journal of Solid State Chemistry, 176 (2). pp. 496-529. ISSN 0022-4596. (doi:https://doi.org/10.1016/S0022-4596(03)00275-5) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
| Saadoune, Iman and Cora, Furio and Alfredsson, Maria and Catlow, C. Richard A. (2003) Computational study of the structural and electronic properties of dopant ions in microporous AlPOs. 2. Redox catalytic activity of trivalent transition metal ions. Journal of Physical Chemistry B, 107 (13). pp. 3012-3018. ISSN 1520-6106. (doi:https://doi.org/10.1021/jp027286) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
Book section
| Cora, Furio and Alfredsson, Maria and Mallia, G. and Middlemiss, D.S. and Mackrodt, W.C. and Dovesi, R. and Orlando, R. (2004) The performance of hybrid density functionals in solid state chemistry. In: Principles and Applications of Density Functional Theory in Inorganic Chemistry II. Structure and Bonding, 113 . Springer Berlin / Heidelberg, Berlin, pp. 171-232. ISBN 978-3-540-21861-6. (doi:https://doi.org/10.1007/b97944) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) |
