Theoretical and Computational Chemistry

Polarizable Drude Model with s-type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields

Authors

Abstract

Submitted manuscript that describes derivation of atomic polarization and exponents for Gaussian or Slater distribution functions to describe polarizable atoms in force fields. Parameters are provided based on the General Amber Force Field, for H, C, N, O, F, P, S, Cl, Br, I.

Version notes

Revision of submitted manuscript.

Content

Thumbnail image of distributed_charges.pdf

Supplementary weblinks