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Group by: Item Type | Date | No Grouping

2008 2007 2005 2004 2003 1998

Number of items: 14.

2008

Ono, Shigeaki and Brodholt, J.P. and Alfe, Dario and Alfredsson, M. and Price, G. David (2008) Ab initio molecular dynamics simulations for thermal equation of state of B2-type NaCl. Journal of Applied Sciences, 103 (2). 023510. ISSN 0021-8979. The full text of this publication is not available from this repository.

2007

Alfredsson, M. and Cora, F. and Dobson, D.P. and Davy, J. and Brodholt, J.P. and Parker, S.C. and Price, G.D. (2007) Dopant control over the crystal morphology of ceramic materials. Surface Science, 601 (21). pp. 4793-4800. ISSN 0039-6028. The full text of this publication is not available from this repository.

Blanchard, M. and Alfredsson, M. and Brodholt, J.P. and Wright, K. and Catlow, C.R.A. (2007) Arsenic incorporation into FeS2 pyrite and its influence on dissolution: A DFT study. Geochimica Et Cosmochimica Acta, 71 (3). pp. 624-630. ISSN 0016-7037. The full text of this publication is not available from this repository.

Dobson, D.P. and Alfredsson, M. and Holzapfel, C. and Brodholt, J.P. (2007) Grain boundary enrichment of iron on magnesium silicate perovskite. European Journal of Mineralogy , 19 (5). pp. 617-622. ISSN 0935-1221. The full text of this publication is not available from this repository.

2005

Li, L. and Brodholt, J.P. and Stackhouse, S. and Weidner, D.J. and Alfredsson, M. and Price, G.D. (2005) Elasticity of (Mg, Fe)(Si, Al)O-3-perovskite at high pressure. Earth and Planetary Science Letters, 240 (2). pp. 529-536. ISSN 0012-821X. The full text of this publication is not available from this repository.

Blanchard, M. and Alfredsson, M. and Brodholt, J.P. and Price, G.D. and Wright, K. and Catlow, C.R.A. (2005) Electronic structure study of the high-pressure vibrational spectrum of FeS2 pyrite. Journal of Physical Chemistry B, 109 (46). pp. 22067-22073. ISSN 1520-6106. The full text of this publication is not available from this repository.

Alfredsson, M. and Cora, F. and Brodholt, J.P. and Parker, S.C. and Price, G.D. (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. The full text of this publication is not available from this repository.

Alfe, D. and Alfredsson, M. and Brodholt, J.P. and Gillan, M.J. and Towler, M.D. and Needs, R.J. (2005) Quantum Monte Carlo calculations of the structural properties and the B1-B2 phase transition of MgO. Physical Review B, 72 (1). p. 7. ISSN 1098-0121. The full text of this publication is not available from this repository.

Alfredsson, M. and Brodholt, J.P. and Wilson, P.B. and Price, G.D. and Cora, F. 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. The full text of this publication is not available from this repository.

Alfredsson, M. and Brodholt, J.P. and Dobson, D.P. and Oganov, A.R. and Catlow, C.R.A. and Parker, S.C. and Price, G.D. (2005) Crystal morphology and surface structures of orthorhombic MgSiO3 perovskite. Physics and Chemistry of Minerals, 31 (10). pp. 671-682. ISSN 0342-1791. The full text of this publication is not available from this repository.

Li, L. and Brodholt, J.P. and Stackhouse, S. and Weidner, D.J. and Alfredsson, M. and Price, G.D. (2005) Electronic spin state of ferric iron in Al-bearing perovskite in the lower mantle. Geophysical Research Letters, 32 (17). p. 4. ISSN 0094-8276. The full text of this publication is not available from this repository.

2004

Alfredsson, M. and Price, G.D. and Catlow, C.R.A. and Parker, S.C. and Orlando, R. and Brodholt, J.P. (2004) Electronic structure of the antiferromagnetic B1-structured FeO. Physical Review B, 70 (16). ISSN 1098-0121. The full text of this publication is not available from this repository.

2003

Fortes, A.D. and Wood, I.G. and Brodholt, J.P. and Alfredsson, M. and Vocadlo, L. and McGrady, G.S. and Knight, K.S. (2003) A high-resolution neutron powder diffraction study of ammonia dihydrate (ND3 center dot 2D(2)O) phase I. Journal of Chemical Physics, 119 (20). pp. 10806-10813. ISSN 0021-9606. The full text of this publication is not available from this repository.

1998

Alfredsson, M. and Brodholt, J.P. and Hermansson, K. and Vallauri, R. (1998) The use of a point polarizable dipole in intermolecular potentials for water. MOLECULAR PHYSICS, 94 (5). pp. 873-876. The full text of this publication is not available from this repository.

This list was generated on Sun May 26 02:03:50 2013 BST.