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Daul, Claude; Rauzy, Cédrick; Decurtins, Silvio; Franz, Patrick; Hauser, Andreas (2005). DFT study of mixed-valent Mn(II/III) hexacyanide clusters. International Journal of Quantum Chemistry, 101(6), pp. 753-760. Wiley 10.1002/qua.20333
Aschauer, Ulrich Johannes; Tilocca, Antonio; Selloni, Annabella (2015). Ab initio simulations of the structure of thin water layers on defective anatase TiO₂ (101) surfaces. International Journal of Quantum Chemistry, 115(18), pp. 1250-1257. Wiley 10.1002/qua.24918
Bhatt, Jayesh S.; McDonald, Peter J.; Faux, David A.; Howlett, Nicholas C.; Churakov, Sergey V. (2014). NMR relaxation parameters from molecular simulations of hydrated inorganic nanopores. International Journal of Quantum Chemistry, 114(18), pp. 1220-1228. Wiley 10.1002/qua.24708
