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Anna Powers
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Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates
JR Cendagorta, A Powers, TJH Hele, O Marsalek, Z Bačić, ME Tuckerman
Physical Chemistry Chemical Physics 18 (47), 32169-32177, 2016
352016
Inelastic neutron scattering spectrum of H2@ C60 and its temperature dependence decoded using rigorous quantum calculations and a new selection rule
M Xu, S Ye, A Powers, R Lawler, NJ Turro, Z Bačić
The Journal of chemical physics 139 (6), 2013
322013
The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates
A Powers, Y Scribano, D Lauvergnat, E Mebe, DM Benoit, Z Bačić
The Journal of Chemical Physics 148 (14), 2018
192018
Experimental inelastic neutron scattering spectrum of hydrogen hexagonal clathrate-hydrate compared with rigorous quantum simulations
M Celli, A Powers, D Colognesi, M Xu, Z Bačić, L Ulivi
The Journal of Chemical Physics 139 (16), 2013
192013
Impact of the condensed-phase environment on the translation–rotation eigenstates and spectra of a hydrogen molecule in clathrate hydrates
A Powers, O Marsalek, M Xu, L Ulivi, D Colognesi, ME Tuckerman, ...
The Journal of Physical Chemistry Letters 7 (2), 308-313, 2016
182016
The HD molecule in small and medium cages of clathrate hydrates: Quantum dynamics studied by neutron scattering measurements and computation
D Colognesi, A Powers, M Celli, M Xu, Z Bačić, L Ulivi
The Journal of Chemical Physics 141 (13), 2014
182014
Understanding nanoconfined hydrogen: first ever quantum free-energy profiles of diffusion of hydrogen and the importance of condensed phase environment in sII clathrate hydrate
A Powers, O Marsalek, L Ulivi, M Tuckerman, Z Bacic
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015
2015
On quantum behavior of nanoconfined hydrogen
A Powers
Ph. D. Thesis, 2015
2015
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