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Liam Wilbraham - Publications

Affiliations: 
2014-2017 Chimie ParisTech 
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26 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Luise D, Wilbraham L, Labat F, Ciofini I. Modeling UV-Vis spectra of low dimensional materials using electrostatic embedding: The case of CdSe. Journal of Computational Chemistry. 42: 1212-1224. PMID 33978978 DOI: 10.1002/jcc.26534  0.551
2020 Gosset A, Wilbraham L, Lachmanová ŠN, Sokolová R, Dupeyre G, Tuyèras F, Ochsenbein P, Perruchot C, de Rouville HJ, Randriamahazaka H, Pospíšil L, Ciofini I, Hromadová M, Lainé PP. Electron Storage System Based on a Two-Way Inversion of Redox Potentials. Journal of the American Chemical Society. PMID 32101420 DOI: 10.1021/Jacs.9B12762  0.531
2020 Bai Y, Woods DJ, Wilbraham L, Aitchison CM, Zwijnenburg MA, Sprick RS, Cooper AI. Hydrogen evolution from water using heteroatom substituted fluorene conjugated co-polymers Journal of Materials Chemistry A. 8: 8700-8705. DOI: 10.1039/D0Ta02599B  0.315
2020 Aitchison CM, Kane CM, McMahon DP, Spackman PR, Pulido A, Wang X, Wilbraham L, Chen L, Clowes R, Zwijnenburg MA, Sprick RS, Little MA, Day GM, Cooper AI. Photocatalytic proton reduction by a computationally identified, molecular hydrogen-bonded framework Journal of Materials Chemistry A. 8: 7158-7170. DOI: 10.1039/D0Ta00219D  0.304
2020 Aitchison CM, Sachs M, Little MA, Wilbraham L, Brownbill NJ, Kane CM, Blanc F, Zwijnenburg MA, Durrant JR, Sprick RS, Cooper AI. Structure–activity relationships in well-defined conjugated oligomer photocatalysts for hydrogen production from water Chemical Science. 11: 8744-8756. DOI: 10.1039/D0Sc02675A  0.344
2020 Woods DJ, Hillman SAJ, Pearce D, Wilbraham L, Flagg LQ, Duffy W, McCulloch I, Durrant JR, Guilbert AAY, Zwijnenburg MA, Sprick RS, Nelson J, Cooper AI. Side-chain tuning in conjugated polymer photocatalysts for improved hydrogen production from water Energy and Environmental Science. 13: 1843-1855. DOI: 10.1039/D0Ee01213K  0.374
2019 Draper ER, Wilbraham L, Adams DJ, Wallace M, Schweins R, Zwijnenburg MA. Insight into the self-assembly of water-soluble perylene bisimide derivatives through a combined computational and experimental approach. Nanoscale. PMID 31414112 DOI: 10.1039/C9Nr03898A  0.319
2019 Wilbraham L, Sprick RS, Jelfs KE, Zwijnenburg MA. Mapping binary copolymer property space with neural networks. Chemical Science. 10: 4973-4984. PMID 31183046 DOI: 10.1039/C8Sc05710A  0.356
2019 Bai Y, Wilbraham L, Slater BJ, Zwijnenburg MA, Sprick RS, Cooper AI. Accelerated discovery of organic polymer photocatalysts for hydrogen evolution from water through the integration of experiment and theory. Journal of the American Chemical Society. PMID 31074272 DOI: 10.1021/Jacs.9B03591  0.367
2019 Vogel A, Forster M, Wilbraham L, Smith CL, Cowan AJ, Zwijnenburg MA, Sprick RS, Cooper AI. Photocatalytically active ladder polymers. Faraday Discussions. PMID 30972395 DOI: 10.1039/C8Fd00197A  0.354
2019 Wang Y, Vogel A, Sachs M, Sprick RS, Wilbraham L, Moniz SJA, Godin R, Zwijnenburg MA, Durrant JR, Cooper AI, Tang J. Current understanding and challenges of solar-driven hydrogen generation using polymeric photocatalysts Nature Energy. 4: 746-760. DOI: 10.1038/S41560-019-0456-5  0.391
2018 Yan J, Wilbraham L, Basa PN, Schüttel M, MacDonald JC, Ciofini I, Coudert FX, Burdette SC. Emissive Azobenzenes Delivered on a Silver Coordination Polymer. Inorganic Chemistry. PMID 30444120 DOI: 10.1021/Acs.Inorgchem.8B02845  0.619
2018 Wilbraham L, Berardo E, Turcani L, Jelfs KE, Zwijnenburg MA. A high-throughput screening approach for the optoelectronic properties of conjugated polymers. Journal of Chemical Information and Modeling. PMID 29940733 DOI: 10.1021/Acs.Jcim.8B00256  0.365
2018 Wilbraham L, Louis M, Alberga D, Brosseau A, Guillot R, Ito F, Labat F, Métivier R, Allain C, Ciofini I. Revealing the Origins of Mechanically Induced Fluorescence Changes in Organic Molecular Crystals. Advanced Materials (Deerfield Beach, Fla.). e1800817. PMID 29845662 DOI: 10.1002/Adma.201800817  0.527
2018 Wilbraham L, Adamo C, Ciofini I. Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes. The Journal of Chemical Physics. 148: 041103. PMID 29390824 DOI: 10.1063/1.5019641  0.563
2018 Sprick RS, Aitchison C, Berardo E, Turcani L, Wilbraham L, Alston BM, Jelfs KE, Zwijnenburg MA, Cooper AI. Maximising the hydrogen evolution activity in organic photocatalysts by co-polymerisation Journal of Materials Chemistry A. 6: 11994-12003. DOI: 10.1039/C8Ta04186E  0.307
2018 Sprick RS, Bai Y, Guilbert AAY, Zbiri M, Aitchison CM, Wilbraham L, Yan Y, Woods DJ, Zwijnenburg MA, Cooper AI. Photocatalytic Hydrogen Evolution from Water Using Fluorene and Dibenzothiophene Sulfone-Conjugated Microporous and Linear Polymers Chemistry of Materials. 31: 305-313. DOI: 10.1021/Acs.Chemmater.8B02833  0.338
2018 Sprick RS, Wilbraham L, Bai Y, Guiglion P, Monti A, Clowes R, Cooper AI, Zwijnenburg MA. Nitrogen Containing Linear Poly(phenylene) Derivatives for Photo-catalytic Hydrogen Evolution from Water Chemistry of Materials. 30: 5733-5742. DOI: 10.1021/Acs.Chemmater.8B02501  0.376
2017 Zerdane S, Wilbraham L, Cammarata M, Iasco O, Rivière E, Boillot ML, Ciofini I, Collet E. Comparison of structural dynamics and coherence of d-d and MLCT light-induced spin state trapping. Chemical Science. 8: 4978-4986. PMID 28959422 DOI: 10.1039/C6Sc05624E  0.545
2017 Wilbraham L, Verma P, Truhlar DG, Gagliardi L, Ciofini I. Multiconfiguration Pair-Density Functional Theory Predicts Spin-State Ordering in Iron Complexes with the Same Accuracy as Complete Active Space Second-Order Perturbation Theory at a Significantly Reduced Computational Cost. The Journal of Physical Chemistry Letters. 2026-2030. PMID 28436662 DOI: 10.1021/Acs.Jpclett.7B00570  0.54
2017 Presti D, Wilbraham L, Targa C, Labat F, Pedone A, Menziani MC, Ciofini I, Adamo C. Understanding Aggregation-Induced Emission in Molecular Crystals: Insights from Theory The Journal of Physical Chemistry C. 121: 5747-5752. DOI: 10.1021/Acs.Jpcc.7B00488  0.565
2016 Wilbraham L, Coudert FX, Ciofini I. Modelling photophysical properties of metal-organic frameworks: a density functional theory based approach. Physical Chemistry Chemical Physics : Pccp. 18: 25176-25182. PMID 27722300 DOI: 10.1039/C6Cp04056J  0.642
2016 Wilbraham L, Adamo C, Labat F, Ciofini I. Electrostatic Embedding To Model the Impact of Environment on Photophysical Properties of Molecular Crystals: A Self-Consistent Charge Adjustment Procedure. Journal of Chemical Theory and Computation. 12: 3316-24. PMID 27231786 DOI: 10.1021/Acs.Jctc.6B00263  0.606
2015 Chevreux S, Allain C, Wilbraham L, Nakatani K, Jacques P, Ciofini I, Lemercier G. Solvent tuned single molecule dual emission in protic solvents: effect of polarity and H-bonding. Faraday Discussions. PMID 26411633 DOI: 10.1039/C5Fd00054H  0.554
2015 Wilbraham L, Savarese M, Rega N, Adamo C, Ciofini I. Describing excited state intramolecular proton transfer in dual emissive systems: a density functional theory based analysis. The Journal of Physical Chemistry. B. 119: 2459-66. PMID 25208048 DOI: 10.1021/Jp507425X  0.599
2015 Adamo C, Bahers TL, Savarese M, Wilbraham L, García G, Fukuda R, Ehara M, Rega N, Ciofini I. Exploring excited states using Time Dependent Density Functional Theory and density-based indexes Coordination Chemistry Reviews. 304: 166-178. DOI: 10.1016/J.Ccr.2015.03.027  0.573
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