| A revised mechanistic model for sodium insertion in hard carbons H Au, H Alptekin, ACS Jensen, E Olsson, CA O’Keefe, T Smith, ... Energy & environmental science 13 (10), 3469-3479, 2020 | 303 | 2020 |
| Evidence for asphaltene nanoaggregation in toluene and heptane from molecular dynamics simulations TF Headen, ES Boek, NT Skipper Energy & Fuels 23 (3), 1220-1229, 2009 | 263 | 2009 |
| Structure of π− π Interactions in Aromatic Liquids TF Headen, CA Howard, NT Skipper, MA Wilkinson, DT Bowron, ... Journal of the American Chemical Society 132 (16), 5735-5742, 2010 | 253 | 2010 |
| Quantitative molecular representation of asphaltenes and molecular dynamics simulation of their aggregation ES Boek, DS Yakovlev, TF Headen Energy & Fuels 23 (3), 1209-1219, 2009 | 246 | 2009 |
| Simulation of asphaltene aggregation through molecular dynamics: Insights and limitations TF Headen, ES Boek, G Jackson, TS Totton, EA Müller Energy & Fuels 31 (2), 1108-1125, 2017 | 220 | 2017 |
| Molecular dynamics simulations of asphaltene aggregation in supercritical carbon dioxide with and without limonene TF Headen, ES Boek Energy & fuels 25 (2), 503-508, 2011 | 103 | 2011 |
| Sodium storage mechanism investigations through structural changes in hard carbons H Alptekin, H Au, ACS Jensen, E Olsson, M Goktas, TF Headen, ... ACS applied energy materials 3 (10), 9918-9927, 2020 | 97 | 2020 |
| Small angle neutron scattering (SANS and V-SANS) study of asphaltene aggregates in crude oil TF Headen, ES Boek, J Stellbrink, UM Scheven Langmuir 25 (1), 422-428, 2009 | 95 | 2009 |
| Liquid phase blending of metal-organic frameworks L Longley, SM Collins, C Zhou, GJ Smales, SE Norman, NJ Brownbill, ... Nature Communications 9 (1), 2135, 2018 | 91 | 2018 |
| Multi-scale simulation and experimental studies of asphaltene aggregation and deposition in capillary flow ES Boek, AD Wilson, JT Padding, TF Headen, JP Crawshaw Energy & Fuels 24 (4), 2361-2368, 2010 | 70 | 2010 |
| Local Structure and Polar Order in Liquid N-Methyl-2-pyrrolidone (NMP) NS Basma, TF Headen, MSP Shaffer, NT Skipper, CA Howard The Journal of Physical Chemistry B 122 (38), 8963-8971, 2018 | 52 | 2018 |
| Potential of mean force calculation from molecular dynamics simulation of asphaltene molecules on a calcite surface TF Headen, ES Boek Energy & fuels 25 (2), 499-502, 2011 | 52 | 2011 |
| Catalogue of plausible molecular models for the molecular dynamics of asphaltenes and resins obtained from quantitative molecular representation JC Law, TF Headen, G Jiménez-Serratos, ES Boek, J Murgich, ... Energy & Fuels 33 (10), 9779-9795, 2019 | 47* | 2019 |
| Adsorption of asphaltenes on the calcite (10.4) surface by first-principles calculations RS Alvim, FCDA Lima, VM Sánchez, TF Headen, ES Boek, CR Miranda RSC Advances 6 (97), 95328-95336, 2016 | 39 | 2016 |
| Multi-scale simulation of asphaltene aggregation and deposition in capillary flow ES Boek, TF Headen, JT Padding Faraday discussions 144, 271-284, 2010 | 39 | 2010 |
| Ammonia borane–polyethylene oxide composite materials for solid hydrogen storage AS Nathanson, AR Ploszajski, M Billing, JP Cook, DWK Jenkins, ... Journal of Materials Chemistry A 3 (7), 3683-3691, 2015 | 34 | 2015 |
| Predicting asphaltene aggregate structure from molecular dynamics simulation: comparison to neutron total scattering data TF Headen, MP Hoepfner Energy & Fuels 33 (5), 3787-3795, 2019 | 33 | 2019 |
| Elucidation of the solid electrolyte interphase formation mechanism in micro‐mesoporous hard‐carbon anodes H Alptekin, H Au, E Olsson, J Cottom, ACS Jensen, TF Headen, Q Cai, ... Advanced materials interfaces 9 (8), 2101267, 2022 | 32 | 2022 |
| The liquid structure of the solvents dimethylformamide (DMF) and dimethylacetamide (DMA) N Basma, PL Cullen, AJ Clancy, MSP Shaffer, NT Skipper, TF Headen, ... Molecular Physics 117 (22), 3353-3363, 2019 | 30 | 2019 |
| The structures of liquid pyridine and naphthalene: the effects of heteroatoms and core size on aromatic interactions TF Headen, PL Cullen, R Patel, A Taylor, NT Skipper Physical Chemistry Chemical Physics 20 (4), 2704-2715, 2018 | 30 | 2018 |
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