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      by 
      Balbuena, Perla B.
      Format: 
      Excerpt: 
      variety of methods from ab initio electronic structure techniques, ab initio molecular dynamics, to
      by 
      Seminario, J. M.
      Format: 
      Excerpt: 
      Quantum mechanics can describe the detailed structure and behavior of matter, from electrons, atoms
      by 
      Balbuena, Perla B.
      Format: 
      Excerpt: 
      freedom / J. Brickmann and U. Schmitt -- Spatial structure in molecular liquids / Peter G. Kusalik, Aatto