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List of works by Liam Wilbraham

Accelerated Discovery of Organic Polymer Photocatalysts for Hydrogen Evolution from Water through the Integration of Experiment and Theory

scientific article published on 22 May 2019

Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes.

scientific article published in January 2018

Comparison of structural dynamics and coherence of d-d and MLCT light-induced spin state trapping

scientific article published on 24 April 2017

Computational high-throughput screening of polymeric photocatalysts: exploring the effect of composition, sequence isomerism and conformational degrees of freedom

scientific article published on 01 July 2019

Describing excited state intramolecular proton transfer in dual emissive systems: a density functional theory based analysis.

scientific article

Electrostatic Embedding To Model the Impact of Environment on Photophysical Properties of Molecular Crystals: A Self-Consistent Charge Adjustment Procedure

scientific article

Insight into the self-assembly of water-soluble perylene bisimide derivatives through a combined computational and experimental approach

scientific article published on 01 August 2019

Mapping binary copolymer property space with neural networks.

scientific article

Mapping the optoelectronic property space of small aromatic molecules

scientific article published in 2020

Maximising the hydrogen evolution activity in organic photocatalysts by co-polymerisation

Modelling photophysical properties of metal-organic frameworks: a density functional theory based approach

scientific article published in September 2016

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

scientific article published on 24 April 2017

Photocatalytically active ladder polymers

scientific article published on 01 July 2019

Solvent tuned single molecule dual emission in protic solvents: effect of polarity and H-bonding

scientific article published on 01 January 2015

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