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exercises:2014_ethz_mmm:reaction_energy [2014/10/15 12:42]
oschuett exercise:reaction_energy renamed to exercise:2014_ethz_mmm:reaction_energy
exercises:2014_ethz_mmm:reaction_energy [2014/10/15 13:31] (current)
oschuett
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 Ground state oxygen, O2, is a triplet diradical, a property which can explain why liquid oxygen is paramagnetic and attracted to the poles of a magnet. ​ Ground state oxygen, O2, is a triplet diradical, a property which can explain why liquid oxygen is paramagnetic and attracted to the poles of a magnet. ​
-{{ :exercise:o3.png?600 |+{{ o3.png?600 |
 }} }}
  
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 Run a single point calculation for CH4, using the given input file.  Run a single point calculation for CH4, using the given input file. 
-Note that the file contains explicit basis sets and potential for all-electron calculations. An explanation of the basis set formats is given here: [[exercise:basis_sets|Basis Sets]]+Note that the file contains explicit basis sets and potential for all-electron calculations. An explanation of the basis set formats is given here: [[basis_sets|Basis Sets]]
  
 <code - CH4.inp > <code - CH4.inp >
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 </​code>​ </​code>​
  
-Another example can be found here [[exercise:basis_sets|Basis Sets]]+Another example can be found here [[basis_sets|Basis Sets]]
  
 ==== 3.Step ==== ==== 3.Step ====
exercises/2014_ethz_mmm/reaction_energy.txt ยท Last modified: 2014/10/15 13:31 by oschuett