Metal Ion Modeling Using Classical Mechanics

@inproceedings{Li2017MetalIM,
  title={Metal Ion Modeling Using Classical Mechanics},
  author={Pengfei Li and Kenneth M. Merz},
  booktitle={Chemical reviews},
  year={2017}
}
Metal ions play significant roles in numerous fields including chemistry, geochemistry, biochemistry, and materials science. With computational tools increasingly becoming important in chemical research, methods have emerged to effectively face the challenge of modeling metal ions in the gas, aqueous, and solid phases. Herein, we review both quantum and… CONTINUE READING