Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide

Hanna Kjær, Stephan P. A. Sauer, Jacob Kongsted
  • The Journal of Chemical Physics, January 2011, American Institute of Physics
  • DOI: 10.1063/1.3546033

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