ABOUT THE CCU
The Computational Chemistry Unit (CCU) is a service unit in the Department of Chemical Research Support. The Unit provides computational assistance to experimental groups at the Weizmann Institute and elsewhere. Projects cover a wide range of topics within chemistry, including investigating reaction mechanisms and understanding chemical properties; for examples, see our Research Highlights. Want or need to incorporate some computations into your research? Contact us.
PRICING
RESEARCH INTERESTS
Density Functional Theory (DFT)
DFT is one of the most commonly used tools in computational chemistry.
The CCU is a service unit within the Department of Chemical Research Support. As such (alas) we must charge for our service. Research is charged according to the size of the project:
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calculations are on a per diem basis (of my time) at ₪386 per day
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these prices are for WIS customers only and include a 85.12% subsidy​
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non-WIS customers should contact me for a quote
Reaction Mechanisms
Only by understanding how and why a reaction proceeds can one direct the reaction in the desired direction.
Prediction of Molecular Properties
One can use DFT to predict a wide variety of molecular properties, including geometries, relative energies, electron (charge) distribution and excited states.
Prediction of Spectroscopic Properties
DFT and related methods can be used to predict molecular spectra, including IR, Raman, UV-VIS, NMR, EPR, VCD and ECD.