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| Title | Author/Creator | Date | Full Text | Reviewed | |
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| The effect of defect disorder on the electronic structure of rutile TiO2-x | Hossain, Faruque M.; Murch, Graeme E.; Sheppard, L.; Nowotny, Janusz | 2006 | 
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| Ab initio and DFT cation affinity study of selected neurosteroids | Morrison, Anthony A.; Paul, Mitchell C.; Parsons, Carl H.; Calford, Mike B.; von Nagy-Felsobuki, Ellak I. | 2005 | — |
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| Ab initio structures and stabilities of HeTM³⁺ (TM=Sc-Cu) | Wilson, David J. D.; Marsden, Colin J.; von Nagy-Felsobuki, Ellak I. | 2002 | — |
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| Energetics of single- and double-layer steps on the Si(001) 2 x 1 surface calculated using the extended Brenner empirical potential | Schofield, S. R.; Radny, M. W.; Smith, P. V. | 2000 |
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Author/Creator
- von Nagy-Felsobuki, Ellak I. (2)
- Calford, Mike B. (1)
- Hossain, Faruque M. (1)
- Marsden, Colin J. (1)
- Morrison, Anthony A. (1)
- Murch, Graeme E. (1)
- Nowotny, Janusz (1)
- Parsons, Carl H. (1)
- Paul, Mitchell C. (1)
- Radny, M. W. (1)
Keyword
- CCSD(T) (1)
- MCSCF (1)
- MRCI (1)
- The extended Brenner potential (1)
- ab initio (1)
- ab initio structures (1)
- alkali-metal ion (1)
- bases (1)
- binding (1)
- cation affinities (1)
