Browsing by Subject "Quasi- Relativistic effects"

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    • Theoretical study of the Au-ethylene interaction 
      Mendizábal Emaldía, Fernando (John Wiley, 1999)
      The basis-set dependence and quasirelativistic and nonrelativistic effects on the Au - C2H4 interaction are examined at the ab initio level. The effects on the interaction energies are modulated by f-type polarization ...