Timothy John Harvey Hele

发表

Switching between coherent and incoherent singlet fission via solvent-induced symmetry-breaking.

Andrew J. Musser, Neil C. Greenham, Steven Lukman, 2019, Journal of the American Chemical Society.

Efficient radical-based light-emitting diodes with doublet emission

Feng Li, Richard H. Friend, Timothy J. H. Hele, 2018, Nature.

Tuning Singlet Fission in π-Bridge-π Chromophores.

Timothy J. H. Hele, M. Steigerwald, M. Sfeir, 2017, Journal of the American Chemical Society.

Intrinsic photogeneration of long-lived charges in a donor-orthogonal acceptor conjugated polymer†

Tracey M. Clarke, Timothy J. H. Hele, F. Cacialli, 2021, Chemical science.

Systematic improvement of molecular excited state calculations by inclusion of nuclear quantum motion: A mode-resolved picture and the effect of molecular size.

Timothy J. H. Hele, B. Monserrat, Antonios M. Alvertis, 2020, The Journal of chemical physics.

Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates.

Timothy J. H. Hele, M. Tuckerman, O. Marsalek, 2016, Physical chemistry chemical physics : PCCP.

Environmental Control of Triplet Emission in Donor–Bridge–Acceptor Organometallics

Timothy J. H. Hele, H. Bässler, A. Köhler, 2019, Advanced Functional Materials.

Theoretical description of Carbene-Metal-Amides.

D. Credgington, Timothy John Harvey Hele, 2018, 1802.00804.

Efficient light-emitting diodes from organic radicals with doublet emission

Timothy J. H. Hele, J. Hudson, E. W. Evans, 2021, Journal of Applied Physics.

Understanding the luminescent nature of organic radicals for efficient doublet emitters and pure-red light-emitting diodes

Timothy J. H. Hele, R. Friend, Ming Zhang, 2020, Nature Materials.

On the relation between thermostatted ring-polymer molecular dynamics and exact quantum dynamics

Timothy J. H. Hele, Timothy John Harvey Hele, 2016 .

How to obtain thermostatted ring polymer molecular dynamics from exact quantum dynamics and when to use it

Timothy John Harvey Hele, 2015, 1508.05820.

Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation.

Timothy J. H. Hele, N. Ananth, Matthew S Church, 2017, The Journal of chemical physics.

Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics".

Michael J. Willatt, Timothy J H Hele, Stuart C Althorpe, 2015, The Journal of chemical physics.

Thermal quantum time-correlation functions from classical-like dynamics

Timothy J. H. Hele, Timothy John Harvey Hele, 2017, 1701.03016.

Deriving the exact nonadiabatic quantum propagator in the mapping variable representation.

Timothy J. H. Hele, N. Ananth, Timothy John Harvey Hele, 2016, Faraday discussions.

On the uniqueness of t → 0+ quantum transition-state theory.

Timothy J H Hele, Stuart C Althorpe, Timothy J. H. Hele, 2013, The Journal of chemical physics.

Communication: Relation of centroid molecular dynamics and ring-polymer molecular dynamics to exact quantum dynamics.

Michael J. Willatt, Timothy J H Hele, Stuart C Althorpe, 2015, The Journal of chemical physics.

Anticipating Acene-Based Chromophore Spectra with Molecular Orbital Arguments.

Timothy J. H. Hele, M. Sfeir, L. Campos, 2018, The journal of physical chemistry. A.

An alternative derivation of ring-polymer molecular dynamics transition-state theory.

S. Althorpe, Timothy John Harvey Hele, 2016, The Journal of chemical physics.

Should thermostatted ring polymer molecular dynamics be used to calculate thermal reaction rates?

Timothy J. H. Hele, Y. V. Suleimanov, Timothy John Harvey Hele, 2015, The Journal of chemical physics.

Derivation of a true (t → 0+) quantum transition-state theory. II. Recovery of the exact quantum rate in the absence of recrossing.

Timothy J. H. Hele, S. Althorpe, Timothy John Harvey Hele, 2013, The Journal of chemical physics.

On the electronic structure of alternant conjugated organic radicals for light-emitting diode applications

Timothy J. H. Hele, Timothy John Harvey Hele, 2021, NanoScience + Engineering.

Vibrationally Assisted Intersystem Crossing in Benchmark Thermally Activated Delayed Fluorescence Molecules.

R. Friend, N. Greenham, D. Beljonne, 2018, The journal of physical chemistry letters.

Derivation of a true (t → 0+) quantum transition-state theory. I. Uniqueness and equivalence to ring-polymer molecular dynamics transition-state-theory.

Timothy J. H. Hele, S. Althorpe, Timothy John Harvey Hele, 2013, The Journal of chemical physics.

Which Algorithm Best Propagates the Meyer–Miller–Stock–Thoss Mapping Hamiltonian for Non-Adiabatic Dynamics?

Jeremy O. Richardson, J. Runeson, Lauren E. Cook, 2023, Journal of chemical theory and computation.

A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer.

Timothy J. H. Hele, N. Ananth, Sadrach Pierre, 2017, The Journal of chemical physics.