| Structure and torsional dynamics of the water octamer from THz laser spectroscopy near 215 μm WTS Cole, JD Farrell, DJ Wales, RJ Saykally Science 352 (6290), 1194-1197, 2016 | 108 | 2016 |
| Benchmarks for characterization of minima, transition states, and pathways in atomic, molecular, and condensed matter systems ST Chill, J Stevenson, V Ruehle, C Shang, P Xiao, JD Farrell, DJ Wales, ... Journal of chemical theory and computation 10 (12), 5476-5482, 2014 | 61 | 2014 |
| Structures and energy landscapes of hydrated sulfate clusters LC Smeeton, JD Farrell, MT Oakley, DJ Wales, RL Johnston Journal of Chemical Theory and Computation 11 (5), 2377-2384, 2015 | 43 | 2015 |
| Energy landscapes, structural topologies and rearrangement mechanisms in clusters of dipolar particles JD Farrell, C Lines, JJ Shepherd, D Chakrabarti, MA Miller, DJ Wales Soft Matter 9 (22), 5407-5416, 2013 | 42 | 2013 |
| Polymorphism and Oxide Ion Migration Pathways in Fluorite-Type Bismuth Vanadate, Bi46V8O89 X Kuang, JL Payne, JD Farrell, MR Johnson, IR Evans Chemistry of Materials 24 (11), 2162-2167, 2012 | 40 | 2012 |
| Defining and quantifying frustration in the energy landscape: Applications to atomic and molecular clusters, biomolecules, jammed and glassy systems VK De Souza, JD Stevenson, SP Niblett, JD Farrell, DJ Wales The Journal of Chemical Physics 146 (12), 2017 | 33 | 2017 |
| A novel 3-D bio-microfluidic system mimicking in vivo heterogeneous tumour microstructures reveals complex tumour–stroma interactions Q Fan, R Liu, Y Jiao, C Tian, JD Farrell, W Diao, X Wang, F Zhang, ... Lab on a Chip 17 (16), 2852-2860, 2017 | 32 | 2017 |
| A stress tensor eigenvector projection space for the (H2O) 5 potential energy surface T Xu, J Farrell, R Momen, A Azizi, SR Kirk, S Jenkins, DJ Wales Chemical Physics Letters 667, 25-31, 2017 | 32 | 2017 |
| Tunable low loss 1D surface plasmons in InAs nanowires Y Zhou, R Chen, J Wang, Y Huang, M Li, Y Xing, J Duan, J Chen, ... Advanced Materials 30 (35), 1802551, 2018 | 31 | 2018 |
| Resolving alternative organic crystal structures using density functional theory and NMR chemical shifts CM Widdifield, JD Farrell, JC Cole, JAK Howard, P Hodgkinson Chemical Science 11 (11), 2987-2992, 2020 | 28 | 2020 |
| Spontaneous domain formation in spherically confined elastic filaments T Curk, JD Farrell, J Dobnikar, R Podgornik Physical review letters 123 (4), 047801, 2019 | 24 | 2019 |
| Computational design of probes to detect bacterial genomes by multivalent binding T Curk, CA Brackley, JD Farrell, Z Xing, D Joshi, S Direito, U Bren, ... Proceedings of the National Academy of Sciences 117 (16), 8719-8726, 2020 | 19 | 2020 |
| Investigating the solid-liquid phase transition of water nanofilms using the generalized replica exchange method Q Lu, J Kim, JD Farrell, DJ Wales, JE Straub The Journal of Chemical Physics 141 (18), 2014 | 18 | 2014 |
| Terahertz VRT spectroscopy of the water hexamer-d12 prism: Dramatic enhancement of bifurcation tunneling upon librational excitation WTS Cole, JD Farrell, AA Sheikh, Ö Yönder, RS Fellers, MR Viant, ... The Journal of Chemical Physics 148 (9), 2018 | 13 | 2018 |
| The mechanism of oxide ion conductivity in bismuth rhenium oxide, Bi28Re2O49 JL Payne, JD Farrell, AM Linsell, MR Johnson, IR Evans Solid State Ionics 244, 35-39, 2013 | 12 | 2013 |
| QTAIM and stress tensor interpretation of the (H2O)5 potential energy surface T Xu, J Farrell, Y Xu, R Momen, SR Kirk, S Jenkins, DJ Wales Journal of Computational Chemistry 37 (31), 2712-2721, 2016 | 11 | 2016 |
| Preorganized Internal Electric Field Powers Catalysis in the Active Site of Uracil-DNA Glycosylase W Diao, S Yan, JD Farrell, B Wang, F Ye, Z Wang ACS Catalysis 12 (20), 12488-12499, 2022 | 9 | 2022 |
| Terahertz VRT spectroscopy of the water hexamer-h12 cage: dramatic libration-induced enhancement of hydrogen bond tunneling dynamics WTS Cole, O Yönder, AA Sheikh, RS Fellers, MR Viant, RJ Saykally, ... The Journal of Physical Chemistry A 122 (37), 7421-7426, 2018 | 9 | 2018 |
| Clusters of coarse-grained water molecules JD Farrell, DJ Wales The Journal of Physical Chemistry A 118 (35), 7338-7348, 2014 | 8 | 2014 |
| Amplification Free Detection of SARS-CoV-2 Using Multi-valent Binding A Roychoudhury, RJ Allen, T Curk, JD Farrell, GEM McAllister, ... ACS Sensors, 2022 | 6 | 2022 |
