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exercises:2015_pitt:gga [2015/02/27 08:48] – [3. Task: relative stabilities] vondeleexercises:2015_pitt:gga [2015/03/02 15:54] – [Required Files] vondele
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 What can you say about the hydrogen bond to the surface, relative acidity of the two oxygens ?  What can you say about the hydrogen bond to the surface, relative acidity of the two oxygens ? 
 Note that, in order to be statistically relevant, longer trajectories should be employed, and surface slab thickness will play an important role. Also compare to Fig. 7 of the paper referenced. Note that, in order to be statistically relevant, longer trajectories should be employed, and surface slab thickness will play an important role. Also compare to Fig. 7 of the paper referenced.
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 (right) click on the filename to download to your local machine. (right) click on the filename to download to your local machine.
exercises/2015_pitt/gga.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1