Assessing parameters for ring polymer molecular dynamics simulations at low temperatures: DH+ H chemical reaction

Novikov, Ivan S; Suleimanov, Yury V; Shapeev, Alexander V

by Ivan S Novikov, Yury V Suleimanov, Alexander V Shapeev

Reference:

Assessing parameters for ring polymer molecular dynamics simulations at low temperatures: DH+ H chemical reaction (Ivan S Novikov, Yury V Suleimanov, Alexander V Shapeev), Chemical Physics Letters, Elsevier, volume 773, 2021.

Bibtex Entry:

@article{novikov2021-rpmd,
  title={Assessing parameters for ring polymer molecular dynamics simulations at low temperatures: DH+ H chemical reaction},
  author={Novikov, Ivan S and Suleimanov, Yury V and Shapeev, Alexander V},
  journal={Chemical Physics Letters},
  volume={773},
  pages={138567},
  year={2021},
  publisher={Elsevier}
}