| 1 |
Direct Grid-Based Nonadiabatic Dynamics on Machine-Learned Potential Energy Surfaces: Application to Spin-Forbidden Processes
Richings GW, Habershon S
Journal of Physical Chemistry A, 124(44), 9299, 2020 |
| 2 |
Automatic Proposal of Multistep Reaction Mechanisms using a Graph-Driven Search
Ismail I, Stuttaford-Fowler HBVA, Ashok CO, Robertson C, Habershon S
Journal of Physical Chemistry A, 123(15), 3407, 2019 |
| 3 |
Comparison of quantum, classical, and ring-polymer molecular dynamics infra-red spectra of Cl-(H2O) and H+(H2O)(2)
Huang XC, Habershon S, Bowman JM
Chemical Physics Letters, 450(4-6), 253, 2008 |
| 4 |
An efficient algorithm for calculating whole-profile functions in crystal structure solution from powder diffraction data
Habershon S, Cheung EY, Harris KDM, Johnston RL
Chemical Physics Letters, 390(4-6), 394, 2004 |
| 5 |
Powder diffraction indexing as a pattern recognition problem: A new approach for unit cell determination based on an artificial neural network
Habershon S, Cheung EY, Harris KDM, Johnston RL
Journal of Physical Chemistry A, 108(5), 711, 2004 |
| 6 |
Fundamental developments in direct-space techniques for structure solution from powder diffraction data
Habershon S, Albesa-Jove D, Cheung EY, Turner GW, Johnston RL, Harris KDM
Materials Science Forum, 443-4, 11, 2004 |
| 7 |
Gaining insights into the evolutionary behaviour in genetic algorithm calculations, with applications in structure solution from powder diffraction data
Habershon S, Harris KDM, Johnston RL, Turner GW, Johnston JM
Chemical Physics Letters, 353(3-4), 185, 2002 |
| 8 |
Comment on: "Transforms for idempotency purification of density matrices in linear-scaling electronic- structure calculations" [Chem. Phys. Lett. 340 (2001) 552-558]
Habershon S, Manby FR
Chemical Physics Letters, 354(5-6), 527, 2002 |
| 9 |
Definition of a'guiding function' in global optimization: a hybrid approach combining energy and R-factor in structure solution from powder diffraction data
Lanning OJ, Habershon S, Harris KDM, Johnston RL, Kariuki BM, Tedesco E, Turner GW
Chemical Physics Letters, 317(3-5), 296, 2000 |
