| Current understanding and challenges of solar-driven hydrogen generation using polymeric photocatalysts Y Wang, A Vogel, M Sachs, RS Sprick, L Wilbraham, SJA Moniz, R Godin, ... Nature Energy 4 (9), 746-760, 2019 | 356 | 2019 |
| Accelerated discovery of organic polymer photocatalysts for hydrogen evolution from water through the integration of experiment and theory Y Bai, L Wilbraham, BJ Slater, MA Zwijnenburg, RS Sprick, AI Cooper Journal of the American Chemical Society 141 (22), 9063-9071, 2019 | 178 | 2019 |
| Photocatalytic hydrogen evolution from water using fluorene and dibenzothiophene sulfone-conjugated microporous and linear polymers RS Sprick, Y Bai, AAY Guilbert, M Zbiri, CM Aitchison, L Wilbraham, Y Yan, ... Chemistry of Materials 31 (2), 305-313, 2018 | 124 | 2018 |
| Exploring excited states using time dependent density functional theory and density-based indexes C Adamo, T Le Bahers, M Savarese, L Wilbraham, G García, R Fukuda, ... Coordination Chemistry Reviews 304, 166-178, 2015 | 102 | 2015 |
| Maximising the hydrogen evolution activity in organic photocatalysts by co-polymerisation RS Sprick, CM Aitchison, E Berardo, L Turcani, L Wilbraham, BM Alston, ... Journal of Materials Chemistry A 6 (25), 11994-12003, 2018 | 82 | 2018 |
| Nitrogen containing linear poly (phenylene) derivatives for photo-catalytic hydrogen evolution from water RS Sprick, L Wilbraham, Y Bai, P Guiglion, A Monti, R Clowes, AI Cooper, ... Chemistry of Materials 30 (16), 5733-5742, 2018 | 75 | 2018 |
| Revealing the origins of mechanically induced fluorescence changes in organic molecular crystals L Wilbraham, M Louis, D Alberga, A Brosseau, R Guillot, F Ito, F Labat, ... Advanced Materials 30 (28), 1800817, 2018 | 65 | 2018 |
| Multiconfiguration pair-density functional theory predicts spin-state ordering in iron complexes with the same accuracy as complete active space second-order perturbation … L Wilbraham, P Verma, DG Truhlar, L Gagliardi, I Ciofini The journal of physical chemistry letters 8 (9), 2026-2030, 2017 | 51 | 2017 |
| Side-chain tuning in conjugated polymer photocatalysts for improved hydrogen production from water DJ Woods, SAJ Hillman, D Pearce, L Wilbraham, LQ Flagg, W Duffy, ... Energy & Environmental Science 13 (6), 1843-1855, 2020 | 46 | 2020 |
| Understanding aggregation-induced emission in molecular crystals: insights from theory D Presti, L Wilbraham, C Targa, F Labat, A Pedone, MC Menziani, I Ciofini, ... The Journal of Physical Chemistry C 121 (10), 5747-5752, 2017 | 45 | 2017 |
| Describing excited state intramolecular proton transfer in dual emissive systems: a density functional theory based analysis L Wilbraham, M Savarese, N Rega, C Adamo, I Ciofini The Journal of Physical Chemistry B 119 (6), 2459-2466, 2015 | 45 | 2015 |
| Comparison of structural dynamics and coherence of d–d and MLCT light-induced spin state trapping S Zerdane, L Wilbraham, M Cammarata, O Iasco, E Rivière, ML Boillot, ... Chemical science 8 (7), 4978-4986, 2017 | 40 | 2017 |
| High-throughput screening approach for the optoelectronic properties of conjugated polymers L Wilbraham, E Berardo, L Turcani, KE Jelfs, MA Zwijnenburg Journal of chemical information and modeling 58 (12), 2450-2459, 2018 | 39 | 2018 |
| Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework CM Aitchison, CM Kane, DP McMahon, PR Spackman, A Pulido, X Wang, ... Journal of materials chemistry A 8 (15), 7158-7170, 2020 | 35 | 2020 |
| Modelling photophysical properties of metal–organic frameworks: a density functional theory based approach L Wilbraham, FX Coudert, I Ciofini Physical Chemistry Chemical Physics 18 (36), 25176-25182, 2016 | 29 | 2016 |
| Hydrogen evolution from water using heteroatom substituted fluorene conjugated co-polymers Y Bai, DJ Woods, L Wilbraham, CM Aitchison, MA Zwijnenburg, RS Sprick, ... Journal of materials chemistry A 8 (17), 8700-8705, 2020 | 28 | 2020 |
| Mapping binary copolymer property space with neural networks L Wilbraham, RS Sprick, KE Jelfs, MA Zwijnenburg Chemical science 10 (19), 4973-4984, 2019 | 28 | 2019 |
| Electrostatic embedding to model the impact of environment on photophysical properties of molecular crystals: a self-consistent charge adjustment procedure L Wilbraham, C Adamo, F Labat, I Ciofini Journal of Chemical Theory and Computation 12 (7), 3316-3324, 2016 | 28 | 2016 |
| Digitizing chemistry using the chemical processing unit: from synthesis to discovery L Wilbraham, SHM Mehr, L Cronin Accounts of Chemical Research 54 (2), 253-262, 2020 | 26 | 2020 |
| Structure–activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water CM Aitchison, M Sachs, MA Little, L Wilbraham, NJ Brownbill, CM Kane, ... Chemical Science 11 (33), 8744-8756, 2020 | 20 | 2020 |
Martijn ZwijnenburgProfessor of Computational Materials Chemistry, University College LondonVerified email at ucl.ac.uk
