Liam Wilbraham
TitleCited byYear
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
572015
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, 2014
382014
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
242017
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
222018
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
182017
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
152018
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
142017
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
122016
Solvent tuned single molecule dual emission in protic solvents: effect of polarity and H-bonding
S Chevreux, C Allain, L Wilbraham, K Nakatani, P Jacques, I Ciofini, ...
Faraday discussions 185, 285-297, 2015
122015
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
112018
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
102018
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
102018
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
82016
Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes
L Wilbraham, C Adamo, I Ciofini
The Journal of chemical physics 148 (4), 041103, 2018
72018
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, 2019
42019
Emissive Azobenzenes Delivered on a Silver Coordination Polymer
J Yan, L Wilbraham, PN Basa, M Schüttel, JC MacDonald, I Ciofini, ...
Inorganic chemistry 57 (23), 15009-15022, 2018
42018
Computational high-throughput screening of polymeric photocatalysts: exploring the effect of composition, sequence isomerism and conformational degrees of freedom
I Heath-Apostolopoulos, L Wilbraham, MA Zwijnenburg
Faraday Discussions 215, 98-110, 2019
22019
Mapping binary copolymer property space with neural networks
L Wilbraham, RS Sprick, KE Jelfs, MA Zwijnenburg
Chemical science 10 (19), 4973-4984, 2019
22019
Photocatalytically active ladder polymers
A Vogel, M Forster, L Wilbraham, CL Smith, AJ Cowan, MA Zwijnenburg, ...
Faraday discussions, 2019
12019
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, 1-15, 2019
2019
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Articles 1–20