Path integral methods for reaction rates in complex systems JE Lawrence, DE Manolopoulos Faraday Discussions 221, 9-29, 2020 | 45 | 2020 |
Analytic continuation of Wolynes theory into the Marcus inverted regime JE Lawrence, DE Manolopoulos The Journal of chemical physics 148 (10), 102313, 2018 | 43 | 2018 |
On the calculation of quantum mechanical electron transfer rates JE Lawrence, T Fletcher, LP Lindoy, DE Manolopoulos The Journal of chemical physics 151 (11), 114119, 2019 | 42 | 2019 |
Magnetoelectroluminescence in organic light-emitting diodes JE Lawrence, AM Lewis, DE Manolopoulos, PJ Hore The Journal of Chemical Physics 144 (21), 214109, 2016 | 29 | 2016 |
Explaining the Efficiency of Photosynthesis: Quantum Uncertainty or Classical Vibrations? JE Runeson, JE Lawrence, JR Mannouch, JO Richardson The journal of physical chemistry letters 13 (15), 3392-3399, 2022 | 23 | 2022 |
Fast quasi-centroid molecular dynamics T Fletcher, A Zhu, JE Lawrence, DE Manolopoulos The Journal of Chemical Physics 155 (23), 231101, 2021 | 20 | 2021 |
An analysis of isomorphic RPMD in the golden rule limit JE Lawrence, DE Manolopoulos The Journal of Chemical Physics 151 (24), 244109, 2019 | 20 | 2019 |
Vibrational strong coupling in liquid water from cavity molecular dynamics AZ Lieberherr, STE Furniss, JE Lawrence, DE Manolopoulos The Journal of Chemical Physics 158 (23), 2023 | 16 | 2023 |
An improved path-integral method for golden-rule rates JE Lawrence, DE Manolopoulos The Journal of Chemical Physics 153 (15), 154113, 2020 | 16 | 2020 |
How quantum is the resonance behavior in vibrational polariton chemistry? MR Fiechter, JE Runeson, JE Lawrence, JO Richardson The Journal of Physical Chemistry Letters 14 (36), 8261-8267, 2023 | 15 | 2023 |
Confirming the role of nuclear tunneling in aqueous ferrous–ferric electron transfer JE Lawrence, DE Manolopoulos The Journal of Chemical Physics 153 (15), 154114, 2020 | 14 | 2020 |
A general non-adiabatic quantum instanton approximation JE Lawrence, DE Manolopoulos The Journal of Chemical Physics 152 (20), 204117, 2020 | 13 | 2020 |
Perturbatively corrected ring-polymer instanton theory for accurate tunneling splittings JE Lawrence, J Dušek, JO Richardson The Journal of Chemical Physics 159 (1), 2023 | 10 | 2023 |
Improved microcanonical instanton theory JE Lawrence, JO Richardson Faraday Discussions 238, 204-235, 2022 | 8 | 2022 |
Recovering Marcus Theory Rates and Beyond without the Need for Decoherence Corrections: The Mapping Approach to Surface Hopping JE Lawrence, JR Mannouch, JO Richardson The Journal of Physical Chemistry Letters 15, 707-716, 2024 | 6 | 2024 |
Quantum coherence in complex environments: General discussion AM Alvertis, W Barford, SB Worster, I Burghardt, A Datta, A Dijkstra, T Fay, ... Faraday Discussions 221, 168-201, 2020 | 6 | 2020 |
A MASH simulation of the photoexcited dynamics of cyclobutanone JE Lawrence, IM Ansari, JR Mannouch, MA Manae, K Asnaashari, A Kelly, ... The Journal of Chemical Physics 160 (17), 2024 | 5 | 2024 |
Zero-point energy and tunnelling: General discussion SC Althorpe, AM Alvertis, W Barford, RL Benson, I Burghardt, S Giannini, ... Faraday Discussions 221, 478-500, 2020 | 5 | 2020 |
Emerging opportunities and future directions: general discussion SC Althorpe, W Barford, J Blumberger, C Bungey, I Burghardt, A Datta, ... Faraday Discussions 221, 564-581, 2020 | 5 | 2020 |
Fast quasi-centroid molecular dynamics for water and ice JE Lawrence, AZ Lieberherr, T Fletcher, DE Manolopoulos The Journal of Physical Chemistry B 127 (42), 9172-9180, 2023 | 4 | 2023 |