Web address: http://chemistry.st-andrews.ac.uk/staff/buehl/group
Direct phone: +44 (0)1334 467235
We apply the tools of computational quantum chemistry to study a variety of chemical and biochemical systems and their properties, focussing on transition-metal and f-element chemistry, homogeneous and bio-catalysis, and NMR properties. State-of-the-art methods are employed, mostly rooted in density-functional theory (DFT), including quantum-mechanical/molecular-mechanical (QM/MM) calculations and first-principles molecular dynamics simulations. Read more.
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