Quantum chemical models for the absorption of endohedral clusters on Si(111)-(7 × 7): a subtle balance between W-Si and Si-Si bonding by Jin, X, Arcisauskaite, V, McGrady, J

The structural landscape in 14-vertex clusters of silicon, M@Si14: when two bonding paradigms collide by Jin, X, Arcisauskaite, V, McGrady, J

In search of structure-activity relationships in transition metal-based molecular conductors by McGrady, J, Arcisauskaite, V, Lamb, J

Biradical character in the ground state of [Mn@Si12](+): a DFT and CASPT2 study by Arcisauskaite, V, Fijan, D, Spivak, M, Graaf, C, McGrady, J

A multiconfigurational approach to the electronic structure of trichromium extended metal atom chains. by Spivak, M, Arcisauskaite, V, López, X, McGrady, J, de Graaf, C

Redox-dependent metal-metal bonding in trinuclear metal chains: probing the transition from covalent bonding to exchange coupling by Obies, M, Perkins, N, Arcisauskaite, V, Heath, G, Edwards, A, McGrady, J

The role of π-blocking hydride ligands in a pressure-induced insulator-to-metal phase transition in SrVO2H by Yamamoto, T, Zeng, D, Kawakami, T, Arcisauskaite, V, Yata, K, Patino, M, Izumo, N, McGrady, J, Kageyama, H, Hayward, M