Browse by UCL people
Group by: Type | Date
Number of items: 5.
2024
Bennett, Olivia;
Freibert, Antonia;
Spinlove, K Eryn;
Worth, Graham A;
(2024)
Prediction through quantum dynamics simulations: Photo-excited cyclobutanone.
The Journal of Chemical Physics
, 160
(17)
, Article 174305. 10.1063/5.0203654.
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2019
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Rivlin, T;
McKemmish, LK;
Spinlove, KE;
Tennyson, J;
(2019)
Low temperature scattering with the R-matrix method: argon-argon scattering.
Molecular Physics
, 117
(21)
pp. 3158-3170.
10.1080/00268976.2019.1615143.
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2018
|
Jenkins, AJ;
Spinlove, KE;
Vacher, M;
Worth, GA;
Robb, MA;
(2018)
The Ehrenfest method with fully quantum nuclear motion (Qu-Eh): Application to charge migration in radical cations.
Journal of Chemical Physics
, 149
(9)
10.1063/1.5038428.
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Spinlove, KE;
Richings, GW;
Robb, MA;
Worth, GA;
(2018)
Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide.
Faraday Discussions
, 212
pp. 191-215.
10.1039/c8fd00090e.
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2017
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Spinlove, KE;
Vacher, M;
Bearpark, M;
Robb, MA;
Worth, GA;
(2017)
Using quantum dynamics simulations to follow the competition between charge migration and charge transfer in polyatomic molecules.
Chemical Physics
, 482
pp. 52-63.
10.1016/j.chemphys.2016.10.007.
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