PhD students and postdocs present their work to Prof. Alexandre Tkatchenko from Center for Molecular Modeling on Vimeo.
For more information see http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.6b01956
Methylation of benzene by 2 methanol molecules in H-SSZ-24 at 350 °C from Center for Molecular Modeling on Vimeo.
The active site for methanol conversion becomes mobile at realistic operating conditions from Center for Molecular Modeling on Vimeo.
Concerted methylation of benzene by methanol in ZSM-5. The results were obtained with advanced molecular simulations from Center for Molecular Modeling on Vimeo.
Breathing behavior of Metal-Organic-Framework MIL-53 from Center for Molecular Modeling on Vimeo.
Overview of the structure of Metal-Organic-Framework MIL-53 from Center for Molecular Modeling on Vimeo.
Carbon capture turned upside down. Competitive adsorption of CO2 and water at 400K from Center for Molecular Modeling on Vimeo.
pH sensitive dyes: ethyl orange in water from Center for Molecular Modeling on Vimeo.