Number of items: 6.
2019
Ismail, Idil, Stuttaford-Fowler, Holly B. V. A., Ochan-Ashok, Curtis, Robertson, Christopher and Habershon, Scott
(2019)
Automatic proposal of multistep reaction mechanisms using a graph-driven search.
The Journal of Physical Chemistry A, 123
(15).
pp. 3407-3417.
doi:10.1021/acs.jpca.9b01014
Robertson, Christopher, González-Vázquez, Jesús, Corral, Ines, Díaz-Tendero, Sergio and Díaz, Cristina
(2019)
Nonadiabatic scattering of NO off Au3 clusters : a simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions.
Journal of Computational Chemistry, 40
(6).
pp. 794-810.
doi:10.1002/jcc.25764
Richings, Gareth, Robertson, Christopher and Habershon, Scott
(2019)
Improved on-the-fly MCTDH simulations with many-body-potential tensor decomposition and projection diabatisation.
Journal of Chemical Theory and Computation, 15
(2).
pp. 857-870.
doi:10.1021/acs.jctc.8b00819
Richings, Gareth W., Robertson, Christopher and Habershon, Scott
(2019)
Can we use on-the-fly quantum simulations to connect molecular structure and sunscreen action?
Faraday Discussions
.
doi:10.1039/c8fd00228b
2018
Habershon, Scott and Robertson, Christopher
(2018)
Harmonic-phase path-integral approximation of thermal quantum correlation functions.
The Journal of Chemical Physics, 148
(10).
102316.
doi:10.1063/1.5002189
2017
Habershon, Scott and Robertson, Christopher
(2017)
Data for Harmonic-phase path-integral approximation of thermal quantum correlation functions.
[Dataset]
This list was generated on Sat Dec 14 09:05:16 2019 GMT.