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 | 245 | 2009 |
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 | 238 | 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 | 235 | 2010 |
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 | 231 | 2020 |
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 | 196 | 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 | 95 | 2011 |
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 | 81 | 2018 |
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 | 77 | 2020 |
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 | 73 | 2010 |
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 | 50 | 2011 |
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 | 41 | 2018 |
Multi-scale simulation of asphaltene aggregation and deposition in capillary flow ES Boek, TF Headen, JT Padding Faraday discussions 144, 271-284, 2010 | 40 | 2010 |
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 | 36 | 2016 |
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 | 34 | 2019 |
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 | 29 | 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 | 28 | 2018 |
Micrometer-sized water ice particles for planetary science experiments: influence of surface structure on collisional properties S Gärtner, B Gundlach, TF Headen, J Ratte, J Oesert, SN Gorb, ... The Astrophysical Journal 848 (2), 96, 2017 | 28 | 2017 |
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 | 27 | 2019 |