Universal Solvation Model Based on the Generalized Born Approximation with Asymmetric Descreening.

@article{Marenich2009UniversalSM,
  title={Universal Solvation Model Based on the Generalized Born Approximation with Asymmetric Descreening.},
  author={Aleksandr V. Marenich and Christopher J. Cramer and Donald G. Truhlar},
  journal={Journal of chemical theory and computation},
  year={2009},
  volume={5 9},
  pages={2447-64}
}
We present a new self-consistent reaction field continuum solvation model based on the generalized Born (GB) approximation for the bulk electrostatic contribution to the free energy of solvation. The new model improves on the earlier SM8 model by using the asymmetric descreening algorithm of Grycuk to treat dielectric descreening effects rather than the Coulomb field approximation; it will be called Solvation Model 8 with asymmetric descreening (SM8AD). The SM8AD model is applicable to any… CONTINUE READING