Now showing items 1-9 of 9
Accounting for anharmonicity
What does quantum mechanics have to do with biomolecular interactions?
Quantum why? - All the ways we think about how molecules interact are fundamentally determined by how electrons behave - And of course that influences how atoms move/rearrange - We can predict how electrons behave ...
The No. 8 baling wire approach to quantum chemical modelling
Overview: - Our job as chemists is to understand and manipulate the behaviour of electrons within molecules ; - This has a knock-on effect for nuclei – influencing structure, dynamics and reactivity ; - What can and ...
Beyond the Woodward-Hoffman rules: what controls reactivity in eliminative aromatic ring-forming reactions?
The Mallory (photocyclization) and Scholl (thermal cyclohydrogenation) reactions are widely used in the synthesis of extended conjugated systems of high scientific interest and technological importance, including molecular ...