Search Results - "density functional calculations"

Triamidoamine-uranium(IV)-stabilized terminal parent phosphide and phosphinidene complexes by Gardner, Benedict M., Balázs, Gábor, Scheer, Manfred, Tuna, Floriana, McInnes, Eric J.L., McMaster, Jonathan, Lewis, William, Blake, Alexander J., Liddle, Stephen T.

Subjects: “…density functional calculations; multiple bonds; phosphides; phosphinidene; uranium…”
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Aminoxyl Radicals on the Silicon (001) Surface by Bennett, J., Warschkow, O., Marks, Nigel

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A monomeric, heterobimetallic complex with an unsupported Mg−Fe bond by Birchall, Christopher, Moxey, Graeme J., McMaster, Jonathan, Blake, Alexander J., Lewis, William, Kays, Deborah L.

Subjects: “…Magnesium; Iron; Metal-metal interactions; N ligands; Density functional calculations…”
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Simulation of proton diffusion in In-doped CaZrO3 by Bilic, Ante, Gale, Julian

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Flexibility in a Metal–Organic Framework Material Controlled by Weak Dispersion Forces: The Bistability of MIL-53(Al) by Walker, A., Civalleri, B., Slater, B., Mellot-Draznieks, C., Corà, F., Zicovich-Wilson, C.M., Román-Pérez, G., Soler, J., Gale, Julian

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