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|    sci.chem    |    Chemistry and related sciences    |    55,615 messages    |
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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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