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Project of the month
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Surface Active Cis-pinonic Acid in Atmospheric Droplets: A Molecular Dynamics Study
Water vapor in the atmosphere can condensate and form
cloud droplets when there is a certain amount of humidity and
presence of cloud condensation nuclei, and organic solutes called
surfactants...
» read more »
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Highlight Paper |
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Product Protection, a Key to Developing High Performance Methane Selective Oxidation Catalysts
Selective oxidation of methane(CH4) to methanol (CH3OH) was achieved by Periana in 1998, by using a platinum(II)
complex as the catalyst in fuming sulfuric acid (H2SO4) at 220°C. The transformation of methane to methanol is
complicated by the fact that the homolytic bond strength of the C-H bond is higher in methane than in methanol...
» read more »
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The department of Theoretical Chemistry was established at KTH in 1999. We
are located at the Albanova University Center
- please come and see us! Our work is computer based, and
consists mostly of the modeling of microscopic systems - that is we use mathematical
models to simulate such systems in order to describe their properties, spectra
and reactions. This could mean a molecule, a cluster, a polymer, a segment of
a protein, a functional center in an enzyme, or a species which is dissolved in
a solvent or adsorbed on a surface. The modelling is mostly, but not always, based
on theories related to quantum mechanics. We have common projects among ourselves
and with other biologists, chemists and physicists, here and elsewhere. We are
also involved in teaching and seminars. If you want to learn more about us just
click the areas above!
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