Questions tagged [catalysis]
Questions involving catalysis - the process of increasing the rate of a chemical reaction by adding a substance which is not consumed in the catalyzed reaction and can continue to act repeatedly.
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Best resources for someone going from experimental to computational chemistry
In a few months, I will complete my PhD and I'm considering leaving experimental chemistry and looking for a postdoc on computational chemistry. During my PhD I used some computational tools like ...
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What prevents us from designing material or catalysts to meet the custom requirements? [closed]
From the perspective of physics, everything is made of atoms, ions, electrons, etc. Since we know the basic interaction between elementary particles, it might be possible to design customized ...
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What does B3LYP do well? What does it do badly?
I have seen a general criticism of B3LYP in computational chemistry (especially with the 6-31G* basis set). I would like to know some of the more/less obvious problems that occur when using it and ...
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How to model heterogeneous catalysis?
Heterogeneous catalysis is known to be very important:
Approximately 35% of the world's GDP is influenced by catalysis. The production of 90% of chemicals (by volume) is assisted by solid catalysts....
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