Comparison of Linear-Scaling Semiempirical Methods and Combined Quantum Mechanical/Molecular Mechanical Methods for Enzymic Reactions. II. An Energy Decomposition Analysis.

Citation

Titmuss, S, Cummins, P, Rendell, A et al 2002, 'Comparison of Linear-Scaling Semiempirical Methods and Combined Quantum Mechanical/Molecular Mechanical Methods for Enzymic Reactions. II. An Energy Decomposition Analysis.', Journal of Computational Chemistry, vol. 23, pp. 1314-1322.

Year

2002

Fields of Research

  • Theoretical And Computational Chemistry Not Elsewhere Classified
  • Enzymes

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