Professor Thomas Penfold
| Attosecond impulsive stimulated X-ray Raman scattering in liquid water | 2024 |
|
Shawana Ahmad
Dr Julien Eng
Professor Thomas Penfold
| Conformational Control of Donor–Acceptor Molecules Using Non-covalent Interactions | 2024 |
|
Professor Thomas Penfold
Dr Luke Watson
Clelia Middleton
Dr Tudur David
Dr Sneha Verma
et al. | Machine-Learning Strategies for the Accurate and Efficient Analysis of X-ray Spectroscopy | 2024 |
|
Dr Magda Pascual-Borras
Dr Elisabetta Arca
Professor Thomas Penfold
Dr Paul Waddell
Dr John Errington
et al. | Mechanochemical Polyoxometalate Super-Reduction with Lithium Metal | 2024 |
|
Miriam Fsadni
Dr Thomas Pope
Dr Ivan Shmarov
Professor Thomas Penfold
Dr Pablo Docampo
et al. | Overcoming the mobility penalty introduced by dipole disorder in small-molecule HTM films | 2024 |
|
Clelia Middleton
Professor Thomas Penfold
| Partial Density of States Representation for Accurate Deep Neural Network Predictions of X-ray Spectra | 2024 |
|
Dr Thomas Pope
Dr Julien Eng
Professor Thomas Penfold
| Spin-Vibronic Intersystem Crossing and Molecular Packing Effects in Heavy Atom Free Organic Phosphor | 2024 |
|
Dr Julien Eng
Conor Rankine
Professor Thomas Penfold
| The photochemistry of Rydberg-excited cyclobutanone: Photoinduced processes and ground state dynamics | 2024 |
|
Shawana Ahmad
Dr Julien Eng
Professor Thomas Penfold
| Towards the accurate simulation of multi-resonance emitters using mixed-reference spin-flip time-dependent density functional theory | 2024 |
|
Dr Julien Eng
Professor Thomas Penfold
| Tracking nuclear motion in single-molecule magnets using femtosecond X-ray absorption spectroscopy | 2024 |
|
Professor Thomas Penfold
| Web-CONEXS: an inroad to theoretical X-ray absorption spectroscopy | 2024 |
|
Professor Thomas Penfold
| A deep learning framework for predictions of excited state properties of light emissive molecules | 2023 |
|
Dr Luke Watson
Dr Thomas Pope
Professor Thomas Penfold
| A Δ-learning strategy for interpretation of spectroscopic observables | 2023 |
|
Clelia Middleton
Conor Rankine
Professor Thomas Penfold
| An On-the-Fly Deep Neural Network for Simulating Time-Resolved Spectroscopy: Predicting the Ultrafast Ring Opening Dynamics of 1,2-Dithiane | 2023 |
|
Professor Thomas Penfold
| Atomic-scale observation of solvent reorganization influencing photoinduced structural dynamics in a copper complex photosensitizer | 2023 |
|
Dr Thomas Pope
Professor Thomas Penfold
| Disentangling the evolution of electrons and holes in photoexcited ZnO nanoparticles | 2023 |
|
Dr Thomas Pope
Professor Thomas Penfold
| Factors promoting hot-exciton formation during charge recombination in organic thin films | 2023 |
|
Dr Eman Alkhudhayr
Dumitru Sirbu
Miriam Fsadni
Bening Muhammad
Dr Paul Waddell
et al. | Improving the Conductivity of Amide-Based Small Molecules through Enhanced Molecular Packing and Their Application as Hole Transport Mediators in Perovskite Solar Cells | 2023 |
|
Dr Nathan Hill
Miriam Fsadni
Professor Noel Healy
Professor Marina Freitag
Professor Thomas Penfold
et al. | Ionic accumulation as a diagnostic tool in perovskite solar cells: characterising band alignment with rapid voltage pulses | 2023 |
|
Dr Julien Eng
Professor Thomas Penfold
| Mind the GAP: Quantifying the Breakdown of the Linear Vibronic Coupling Hamiltonian | 2023 |
|
Dr Thomas Pope
Dr Yvelin Giret
Miriam Fsadni
Dr Pablo Docampo
Professor Thomas Penfold
et al. | Modelling the effect of dipole ordering on charge-carrier mobility in organic semiconductors | 2023 |
|
Rebecca Clarke
Jake Weatherston
Rafid Taj Aldeen
Dr Paul Waddell
Emeritus Professor William McFarlane
et al. | Synthesis and Structural Diversification of Circularly Polarised Luminescence Active, Helically Chiral, “Confused” N,N,O,C-BODIPYs | 2023 |
|
Professor Thomas Penfold
| Towards panchromatic Fe(II) NHC sensitizers via HOMO inversion | 2023 |
|
Dr Tudur David
Kathryn Garside
Professor Thomas Penfold
| Towards the Automated Extraction of Structural Information from X-ray Absorption Spectra | 2023 |
|
Professor Thomas Penfold
Dr Julien Eng
| Towards understanding and controlling ultrafast dynamics in molecularphotomagnets | 2023 |
|
Dr Sneha Verma
Kathryn Garside
Professor Thomas Penfold
| Uncertainty Quantification of Spectral Predictions Using Deep Neural Networks | 2023 |
|
Dr Julien Eng
Professor Thomas Penfold
| A Computational-Experimental Approach to Unravel the Excited State Landscape in Heavy-Atom Free BODIPY-Related Dyes | 2022 |
|
Professor Thomas Penfold
Conor Rankine
| A deep neural network for valence-to-core X-ray emission spectroscopy | 2022 |
|
Dr Nathan Davison
Dr Paul Waddell
Dr Casey Dixon
Dr Corinne Wills
Professor Thomas Penfold
et al. | A monomeric (trimethylsilyl) methyl lithium complex: synthesis, structure, decomposition and preliminary reactivity studies | 2022 |
|
Conor Rankine
Professor Thomas Penfold
| Accurate, Affordable, and Generalisable Machine Learning Simulations of Transition Metal X-ray Absorption Spectra using the XANESNET Deep Neural Network | 2022 |
|
Dr Luke Watson
Conor Rankine
Professor Thomas Penfold
| Beyond Structural Insight: A Deep Neural Network for the Prediction of Pt L2/3-edge X-ray Absorption Spectra | 2022 |
|
Dr Osama El-Zubir
Dr Pablo Rojas Martinez
Dr Gema Dura
Lamia Al-Mahamad
Dr Thomas Pope
et al. | Circularly polarised luminescence in an RNA-based homochiral, self-repairing, coordination polymer hydrogel | 2022 |
|
Professor Thomas Penfold
| Direct observation of ultrafast exciton localization in an organic semiconductor with soft X-ray transient absorption spectroscopy | 2022 |
|
Zheng Tan
Professor Thomas Penfold
| Efficient Adversarial Generation of Thermally Activated Delayed Fluorescence Molecules | 2022 |
|
Dr Julien Eng
Professor Thomas Penfold
| Excited-State Lifetime Modulation by Twisted and Tilted Molecular Design in Carbene-Metal-Amide Photoemitters | 2022 |
|
Dr Julien Eng
Professor Thomas Penfold
| Fine-Tuning the Photophysics of Donor-Acceptor (D-A3) Thermally Activated Delayed Fluorescence Emitters Using Isomerisation | 2022 |
|
Nawaf Algoazy
Rebecca Clarke
Professor Thomas Penfold
Dr Paul Waddell
Professor Mike Probert
et al. | NIR Circularly Polarised Luminescence from Helically-Extended Chiral N,N,O,O-Boron Chelated Dipyrromethenes | 2022 |
|
Dr Julien Eng
Professor Thomas Penfold
| Photoinduced Jahn–Teller switch in Mn(iii) terpyridine complexes | 2022 |
|
Shawana Ahmad
Dr Julien Eng
Professor Thomas Penfold
| Rapid Predictions of the Colour Purity of Luminescent Organic Molecules | 2022 |
|
Professor Thomas Penfold
Dr Julien Eng
| Tailoring Donor-Acceptor Emitters to Minimise Localisation Induced Quenching of Thermally Activated Delayed Fluorescence | 2022 |
|
Dr Nathan Davison
Emanuele Falbo
Dr Paul Waddell
Professor Thomas Penfold
Dr Erli Lu
et al. | A Monomeric Methyllithium Complex: Synthesis and Structure | 2021 |
|
Dr Yvelin Giret
Dr Julien Eng
Dr Thomas Pope
Professor Thomas Penfold
| A quantum dynamics study of the hyperfluorescence mechanism | 2021 |
|
Dr Marwah Madkhali
Conor Rankine
Professor Thomas Penfold
| Enhancing the Analysis of Disorder in X-Ray Absorption Spectra: Application of Deep Neural Networks to T-jump-X-ray Probe Experiments | 2021 |
|
Professor Thomas Penfold
| Exceptionally Fast Radiative Decay of a Dinuclear Platinum Complex Through Thermally Activated Delayed Fluorescence | 2021 |
|
Professor Thomas Penfold
| Influence of Heavy Atom Effect on the Photophysics of Coinage Metal Carbene‐Metal‐Amide Emitters | 2021 |
|
Professor Thomas Penfold
| Intrinsic photogeneration of long-lived charges in a donor- orthogonal acceptor conjugated polymer | 2021 |
|
Josh Horton
Professor Thomas Penfold
Dr Daniel Cole
| Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field | 2021 |
|
Josh Littlefair
Dr Daniel Cole
Professor Thomas Penfold
| On assessing functional errors in density functional theory using atomisation energies and electric field gradients | 2021 |
|
Emanuele Falbo
Conor Rankine
Professor Thomas Penfold
| On the Analysis of X-ray Absorption Spectra for Polyoxometallates | 2021 |
|
Dr Beth Laidlaw
Dr Julien Eng
Professor Thomas Penfold
| On the factors influencing the chiroptical response of conjugated polymer thin films | 2021 |
|
Dr Julien Eng
Professor Thomas Penfold
| Open questions on the photophysics of thermally activated delayed fluorescence | 2021 |
|
Professor Thomas Penfold
| Pathways to increase the dissymmetry in the interaction of chiral light and chiral molecules | 2021 |
|
Conor Rankine
Professor Thomas Penfold
| Progress in the Theory of X‐ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast Dynamics | 2021 |
|
Dr Beth Laidlaw
Professor Thomas Penfold
| Using the Mechanical Bond to Tune the Performance of a Thermally Activated Delayed Fluorescence Emitter | 2021 |
|
Professor Thomas Penfold
| Vibrational Coherence Spectroscopy Identifies Ultrafast Branching in an Iron(II) Sensitizer | 2021 |
|
Conor Rankine
Dr Marwah Madkhali
Professor Thomas Penfold
| A Deep Neural Network for the Rapid Prediction of X-ray Absorption Spectra | 2020 |
|
Conor Rankine
Dr Marwah Madkhali
Professor Thomas Penfold
| A Deep Neural Network for the Rapid Prediction of X-ray Absorption Spectra | 2020 |
|
Dr Julien Eng
Stuart Thompson
Professor Thomas Penfold
| Competition between the Heavy Atom Effect and Vibronic Coupling in Donor-Bridge-Acceptor Organometallics | 2020 |
|
Professor Thomas Penfold
| Femtosecond X-ray emission study of the spin cross-over dynamics in haem proteins | 2020 |
|
Dr Julien Eng
Professor Thomas Penfold
| Hydrostatic Pressure-Induced Spectral Variation of Reichardt’s Dye: A Polarity/Pressure Dual Indicator | 2020 |
|
Dr Yvelin Giret
Professor Thomas Penfold
| Real-Time Electron Nanoscopy of Photovoltaic Absorber Formation from Kesterite Nanoparticles | 2020 |
|
Emanuele Falbo
Professor Thomas Penfold
| Redox Potentials of Polyoxometalates from Implicit Solvent Model and QM/MM Molecular Dynamics | 2020 |
|
Abdu Alsimaree
Dr Paul Waddell
Professor Mike Probert
Professor Thomas Penfold
Dr Julian Knight
et al. | Synthesis of 3,5-Dichloro-4,4-difluoro-4-bora-3a,4a-diaza-s-indacenes (BODIPYs) via Cu(OTf)2 Mediated Oxidative Nucleophilic Substitution of Hydrogen by Chloride | 2020 |
|
Maymoon Madkhali
Conor Rankine
Professor Thomas Penfold
| The Role of Structural Representation in the Performance of a Deep Neural Network for X-Ray Spectroscopy | 2020 |
|
Dr Julien Eng
Professor Thomas Penfold
| Understanding and Designing Thermally Activated Delayed Fluorescence Emitters: Beyond the Energy Gap Approximation | 2020 |
|
Dr Julien Eng
Professor Thomas Penfold
| Vibrational coherences in manganese single-molecule magnets after ultrafast photoexcitation | 2020 |
|
Dr Julien Eng
Dr Jerry Hagon
Professor Thomas Penfold
| D-A3 TADF Emitters: The Role of the Density of States for Achieving Faster Triplet Harvesting Rates | 2019 |
|
Professor Thomas Penfold
| Excited state dynamics initiated by an electromagnetic field within the Variational Multi-Configurational Gaussian (vMCG) method | 2019 |
|
Dr Yang Cao
Dr Julien Eng
Professor Thomas Penfold
| Excited State Intramolecular Proton Transfer Dynamics for Triplet Harvesting in Organic Molecules | 2019 |
|
Professor Thomas Penfold
| Hydrostatic Pressure‐Controlled Ratiometric Luminescence Responses of Dibenzo[a,j]phenazine‐Cored Mechanoluminophore | 2019 |
|
Dr Beth Laidlaw
Professor Thomas Penfold
| Inverting the Handedness of Circularly Polarized Luminescence from Light-Emitting Polymers Using Film Thickness | 2019 |
|
Dr Julien Eng
Dr Beth Laidlaw
Professor Thomas Penfold
| On the geometry dependence of tuned range-separated hybrid functionals | 2019 |
|
Professor Thomas Penfold
| Simulation of ultrafast excited-state dynamics and elastic x-ray scattering by quantum wavepacket dynamics | 2019 |
|
Jamie Gibson
Dr Beth Laidlaw
Professor Thomas Penfold
| The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence | 2019 |
|
Dr Thomas Northey
Professor Thomas Penfold
| Tracking multiple components of a nuclear wavepacket in photoexcited Cu(I)-phenanthroline complex using ultrafast X-ray spectroscopy | 2019 |
|
Dr Thomas Northey
Professor Thomas Penfold
| Ultrafast Nonadiabatic Dynamics Probed by Nitrogen K-edge Absorption Spectroscopy | 2019 |
|
Dr Julien Eng
Dr Theo Keane
Professor Thomas Penfold
| Understanding the Potential for Efficient Triplet Harvesting with Hot Excitons | 2019 |
|
Stuart Thompson
Professor Thomas Penfold
| 1,2,4-Triazines in the Synthesis of Bipyridine Bisphenolate ONNO Ligands and Their Highly Luminescent Tetradentate Pt(II) Complexes for Solution-Processable OLEDs | 2018 |
|
Professor Thomas Penfold
| How To Excite Nuclear Wavepackets into Electronically Degenerate States in Spin-Vibronic Quantum Dynamics Simulations | 2018 |
|
Dr Thomas Northey
Professor Thomas Penfold
| Non-equilibrium x-ray spectroscopy using direct quantum dynamics | 2018 |
|
Professor Thomas Penfold
| Revealing hole trapping in zinc oxide nanoparticles by time-resolved X-ray spectroscopy | 2018 |
|
Professor Thomas Penfold
| Spin-Vibronic Mechanism for Intersystem Crossing | 2018 |
|
Jamie Gibson
Professor Thomas Penfold
| The influence of molecular conformation on the photophysics of organic room temperature phosphorescent luminophores | 2018 |
|
Dr Thomas Northey
Professor Thomas Penfold
| The intersystem crossing mechanism of an ultrapure blue organoboron emitter | 2018 |
|
Dr Julien Eng
Professor Thomas Penfold
| The intersystem crossing of a cyclic (alkyl)(amino) carbene gold (i) complex | 2018 |
|
Professor Thomas Penfold
| The Theory of Thermally Activated Delayed Fluorescence for Organic Light Emitting Diodes | 2018 |
|
Dr Julien Eng
Professor Thomas Penfold
| Triazatruxene: A Rigid Central Donor Unit for a D–A3 Thermally Activated Delayed Fluorescence Material Exhibiting Sub‐Microsecond Reverse Intersystem Crossing and Unity Quantum Yield via Multiple Singlet–Triplet State Pairs | 2018 |
|
Professor Thomas Penfold
| Accelerating Direct Quantum Dynamics using Graphical Processing Units | 2017 |
|
Rebecca Clarke
Dr Kin Lok Ho
Abdu Alsimaree
Dr Paul Waddell
Dr Julian Knight
et al. | Circularly Polarised Luminescence from Helically Chiral 'Confused' N,N,O,C-Boron-Chelated Dipyrromethenes (BODIPYs) | 2017 |
|
Dr Graham Cooper
Dr Chris Medcraft
Josh Littlefair
Professor Thomas Penfold
Dr Nick Walker
et al. | Halogen bonding properties of 4-iodopyrazole and 4-bromopyrazole characterised by rotational spectroscopy and ab initio calculations | 2017 |
|
Fiona Black
Dr Gareth Summers
Professor Thomas Penfold
Professor Elizabeth Gibson
| Investigating interfacial electron transfer in dye-sensitized NiO using vibrational spectroscopy | 2017 |
|
Professor Thomas Penfold
| Luminescent Gold(III) Thiolates: Supramolecular Interactions Trigger and Control Switchable Photoemissions from Bimolecular Excited States | 2017 |
|
Jamie Gibson
Professor Thomas Penfold
| Nonadiabatic Coupling Reduces the Activation Energy in Thermally Activated Delayed Fluorescence | 2017 |
|
Professor Thomas Penfold
| Photoaquation Mechanism of Hexacyanoferrate(II) ions: Ultrafast 2D UV and Transient Visible and IR Spectroscopies | 2017 |
|
Professor Thomas Penfold
| Photophysics of a Copper Phenanthroline Elucidated by Trajectory and Wavepacket-based Quantum Dynamics: A Synergetic Approach | 2017 |
|
Professor Thomas Penfold
| Photophysics of thermally activated delayed fluorescence in organic molecules | 2017 |
|
Professor Thomas Penfold
| Photophysics of thermally activated delayed fluorescence molecules | 2017 |
|
Kenneth Etherington
Jamie Gibson
Dr Thomas Northey
Professor Thomas Penfold
| Regio- and conformational isomerization critical to design of efficient thermally-activated delayed fluorescence emitters | 2017 |
|
Glenn Lamming
Professor Thomas Penfold
Professor William Clegg
Dr Paul Waddell
Professor Mike Probert
et al. | Structural Diversity and Argentophilic Interactions in 1-D Silver-based Coordination Polymers | 2017 |
|
Dr Thomas Northey
Professor Thomas Penfold
| The Contributions of Molecular Vibrations and Higher Triplet Levels to the Intersystem Crossing Mechanism in Metal-Free Organic Emitters | 2017 |
|
Dr Thomas Northey
Professor Thomas Penfold
| The Role of Solid State Solvation on the Charge Transfer State of a Thermally Activated Delayed Fluorescence Emitter | 2017 |
|
Professor Thomas Penfold
Dr Gareth Roberts
| Electronic and non-adiabatic dynamics: general discussion | 2016 |
|
Professor Thomas Penfold
| Establishing nonlinearity thresholds with ultraintense X-ray pulses | 2016 |
|
Professor Thomas Penfold
| Femtosecond X-ray absorption and emission spectroscopy on zno nanoparticles in solution | 2016 |
|
Professor Thomas Penfold
| High-Efficiency Iron Photosensitizer Explained With Quantum Wavepacket Dynamics | 2016 |
|
Professor Thomas Penfold
| Investigating DNA Radiation Damage Using X-Ray Absorption Spectroscopy | 2016 |
|
Professor Thomas Penfold
| Probing Spin-Vibronic Dynamics Using Femtosecond X-ray Spectroscopy | 2016 |
|
Jamie Gibson
Professor Thomas Penfold
| Revealing the spin–vibronic coupling mechanism of thermally activated delayed fluorescence | 2016 |
|
Professor Thomas Penfold
| Structural dynamics: general discussion | 2016 |
|
Professor Thomas Penfold
| The Effect of tert-Butyl Functionalization on the Photoexcited Decay of a Fe(II)-N-Heterocyclic Carbene Complex | 2016 |
|
Jamie Gibson
Professor Thomas Penfold
| The Importance of Vibronic Coupling for Efficient Reverse Intersystem Crossing in TADF molecules | 2016 |
|
Professor Thomas Penfold
| Vibrational and condensed phase dynamics: general discussion | 2016 |
|
Professor Thomas Penfold
Dr sarah Johnson
| Identifying the major intermediate species by combining time-resolved X-ray solution scattering and X-ray absorption spectroscopy | 2015 |
|
Professor Thomas Penfold
| Local Control Theory in Trajectory Surface Hopping Dynamics Applied to the Excited‐State Proton Transfer of 4‐Hydroxyacridine | 2015 |
|
Professor Thomas Penfold
| NO binding kinetics in myoglobin investigated by picosecond Fe K-edge absorption spectroscopy | 2015 |
|
Professor Thomas Penfold
| On Predicting the Excited State Properties of Thermally Activated Delayed Fluorescence Emitters | 2015 |
|
Professor Thomas Penfold
| Probing Wavepacket Dynamics using Ultrafast X-ray Spectroscopy | 2015 |
|
Professor Thomas Penfold
| Synthesis and Luminescence Modulation of Pyrazine-Based Gold(III) Pincer Complexes | 2015 |
|
Professor Thomas Penfold
| Theoretical Rationalization of the Emission Properties of Prototypical Cu(I)–Phenanthroline Complexes | 2015 |
|
Professor Thomas Penfold
| Ultrafast core-loss spectroscopy in four-dimensional electron microscopy | 2015 |
|
Professor Thomas Penfold
| A Quantum Dynamics Study of the Ultrafast Relaxation in a Prototypical Cu(I)-Phenanthroline | 2014 |
|
Professor Thomas Penfold
| A Vibronic Coupling Hamiltonian to Describe the Ultrafast Excited State Dynamics of a Cu(I)-Phenanthroline Complex | 2014 |
|
Professor Thomas Penfold
| Characterizing the Structure and Defect Concentration of ZnO Nanoparticles in a Colloidal Solution | 2014 |
|
Professor Thomas Penfold
| Derivation of spin-orbit couplings in collinear linear-response TDDFT: a rigorous formulation | 2014 |
|
Professor Thomas Penfold
| Mapping of the Photoinduced Electron Traps in TiO2 by Picosecond X-ray Absorption Spectroscopy | 2014 |
|
Professor Thomas Penfold
| Photooxidation and photoaquation of iron hexacyanide in aqueous solutions: A picosecond X-ray absorption study | 2014 |
|
Professor Thomas Penfold
| Probing the dynamics of plasmon-excited hexanethiol-capped gold nanoparticles by picosecond X-ray absorption spectroscopy | 2014 |
|
Professor Thomas Penfold
| Probing the electronic and geometric structure of ferric and ferrous myoglobins in physiological solutions by Fe K-edge absorption spectroscopy | 2014 |
|
Professor Thomas Penfold
| Recent experimental and theoretical developments in time-resolved X-ray spectroscopies | 2014 |
|
Professor Thomas Penfold
| X-ray Spectroscopic Study of Solvent Effects on the Ferrous and Ferric Hexacyanide Anions | 2014 |
|
Professor Thomas Penfold
| A wavelet analysis for the X-ray absorption spectra of molecules | 2013 |
|
Professor Thomas Penfold
| The role of Hartree-Fock exchange in the simulation of X-ray absorption spectra: A study of photoexcited [Fe(bpy)3]2+ | 2013 |
|
Professor Thomas Penfold
| X-ray Absorption Spectroscopy of Ground and Excited Rhenium-Carbonyl-Diimine Complexes: Evidence for a Two-Center Electron Transfer | 2013 |
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