Publications

954 results at The Journal of Chemical Physics

High-dimensional order parameters and neural network classifiers applied to amorphous ices
- - Zoe Faure-beaulieu
  - Volker Deringer
  - et al.
- 2024
- The Journal of Chemical Physics
Molecular rotations trigger a glass-to-plastic fcc heterogeneous crystallization in high-pressure water
- - Malgorzata Zimon
  - Fausto Martelli
- 2023
- The Journal of Chemical Physics
Temperature- and pressure-dependence of the hydrogen bond network in plastic ice VII
- - Alberto Toffano
  - John Russo
  - et al.
- 2022
- The Journal of Chemical Physics
Signatures of sluggish dynamics and local structural ordering during ice nucleation
- - Fausto Martelli
  - Jeremy Palmer
- 2022
- The Journal of Chemical Physics
TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units
- - Stefan Seritan
  - Christoph Bannwarth
  - et al.
- 2020
- The Journal of Chemical Physics
Study of the structure of molecular complexes. IX. The Hartree-Fock energy surface for the H₂O-Li-F complex
- - James W. Kress
  - E. Clementi
  - et al.
- 2008
- The Journal of Chemical Physics
Ab initio force constants for the HCN molecule: SCF and CI results
- - U. Wahlgren
  - J. Pacansky
  - et al.
- 2008
- The Journal of Chemical Physics
Field induced charge-transfer exciton transitions
- - D. Haarer
  - M.R. Philpott
  - et al.
- 2008
- The Journal of Chemical Physics
Generalization of Slater's transition state concept
- - Arthur R. Williams
  - Robert A. DeGroot
  - et al.
- 2008
- The Journal of Chemical Physics
Effect of surface Plasmons on transitions in molecules
- - Michael R. Philpott
- 2008
- The Journal of Chemical Physics