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      Cover image for Computer-aided molecular design : theory and applications
      1. 
      Computer-aided molecular design : theory and applications
      by 
      Doucet, Jean-Pierre.
      ScienceDirect http://www.sciencedirect.com/science/book/9780122212857
      Format: 
      Excerpt: 
      Equations: AB initio Methods. Semi-Empirical Methods. Density Functional Methods. Derivation and