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 | 35 | 2016 |
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 | 32 | 2013 |
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 | 20 | 2013 |
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 | 19 | 2018 |
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 | 18 | 2016 |
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 | 18 | 2014 |
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 |