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   Message 54,104 of 55,615   
   Devashish Das to All   
   Regarding Calculation of Lennard-Jones p   
   27 Jun 17 00:13:00   
   
   From: devashish.das.2017@gmail.com   
      
   I am a big fan of Mopac (Though I have a very little knowledge about the   
   tool). I have some queries regarding some calculations in Mopac2016:   
      
   Problem:   
      
   1. How to calculate Lennard-Jones potential for Vanadium (V) (with other   
   elements: Oxygen and Chlorine)?   
   2. How to calculate Bond or Angle or Dihedral force constant for Vanadium (V)   
   (with other elements: Oxygen and Chlorine)?   
      
   My compound (smiliar to): CN(O[V](Cl)(=O)ON(C)C(C)=O)C(C)=O   
      
   Structure: https://ibb.co/icN87k   
      
   --- SoupGate-Win32 v1.05   
    * Origin: you cannot sedate... all the things you hate (1:229/2)   

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