Comparison between the frozen core and finite differences approximations for the generalized spin-dependent global and local reactivity descriptors in small molecules

  • Jorge Garza, Rubicelia Vargas, Andrés Cedillo, Marcelo Galván, Pratim Kumar Chattaraj
  • Theoretical Chemistry Accounts, November 2005, Springer Science + Business Media
  • DOI: 10.1007/s00214-005-0002-3

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