A polarizable electrostatic model of the N-methylacetamide dimer

@article{Mannfors2001APE,
  title={A polarizable electrostatic model of the N-methylacetamide dimer},
  author={Berit Mannfors and Noemi G. Mirkin and Kim Palm{\"o} and Samuel Krimm},
  journal={Journal of Computational Chemistry},
  year={2001},
  volume={22},
  pages={1933-1943}
}
Our previously developed polarizable electrostatic model is applied to isolated N-methylacetamide (NMA) and to three hydrogen-bonded configurations of the NMA dimer. Two versions of the model are studied. In the first one (POL1), polarizability along the valence bonds is described by induced bond charge increments, and polarizability perpendicular to the bonds is described by cylindrically isotropic induced atomic dipoles. In the other version (POL2), the induced bond charge increments are… CONTINUE READING