Results for ATOMS

Publications & Outputs

1. Precursor configurations and post-rupture evolution of Ag-CO-Ag single-molecule junctions

   Balogh, Z., Visontai, D., Makk, P., Gillemot, K., Oroszlany, L., Posa, L., Lambert, C. & Halbritter, A., 21/12/2014, In: Nanoscale. 6, 24, p. 14784-14791 8 p.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

2. f-Orbital covalency in the actinocenes (An = Th-Cm): multiconfigurational studies and topological analysis

   Kerridge, A., 2014, In: RSC Advances. 4, 24, p. 12078-12086 9 p.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

3. Oxidation state and covalency in f-element metallocenes (M = Ce, Th, Pu): a combined CASSCF and topological study

   Kerridge, A., 14/12/2013, In: Dalton Transactions. 42, 46, p. 16428-16436 9 p.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

4. Hybrid Vlasov-Fokker-Planck-Maxwell simulations of fast electron transport and the time dependance of K-shell excitation in a mid-Z metallic target

   Thomas, A. G. R., Sherlock, M., Kuranz, C., Ridgers, C. P. & Drake, R. P., 22/01/2013, In: New Journal of Physics. 15, 20 p., 015017.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

5. Adiabatic connection forms in density functional theory: H(2) and the He isoelectronic series

   Peach, M. J. G., Miller, A. M., Teale, A. M. & Tozer, D. J., 14/08/2008, In: Journal of Chemical Physics. 129, 6, 7 p., ARTN 064105.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

6. "Naked" fluoride binding sites for physisorptive hydrogen storage

   Trewin, A., Darling, G. R. & Cooper, A. I., 01/2008, In: New Journal of Chemistry. 32, 1, p. 17-20 4 p.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

7. Modeling the adiabatic connection in H-2

   Peach, M. J. G., Teale, A. M. & Tozer, D. J., 28/06/2007, In: Journal of Chemical Physics. 126, 24, 9 p., 244104.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review

8. Structure and dynamics of the He-2(*) (a3 Sigma(+)(u)) molecular complex in condensed phases of helium

   Kafanov, S., Parshin, A. Y. & Todoshchenko, I. A., 11/2000, In: Journal of Experimental and Theoretical Physics. 91, 5, p. 991-999 9 p.

   Research output: Contribution to Journal/Magazine › Journal article › peer-review