A Joined-up Approach to New Molecular Simulation Technologies to Harness Ultrafast Photochemistry
Lead Research Organisation:
University of Oxford
Department Name: Oxford Chemistry
Abstract
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Organisations
Publications
Acheson K
(2023)
Automatic Clustering of Excited-State Trajectories: Application to Photoexcited Dynamics.
in Journal of chemical theory and computation
Acheson K
(2023)
Robust Inversion of Time-Resolved Data via Forward-Optimization in a Trajectory Basis
in Journal of Chemical Theory and Computation
Bertram L
(2023)
Mapping the photochemistry of cyclopentadiene: from theory to ultrafast X-ray scattering
in Faraday Discussions
Coe JP
(2022)
Efficient Computation of Two-Electron Reduced Density Matrices via Selected Configuration Interaction.
in Journal of chemical theory and computation
Craciunescu L
(2023)
Excited-state van der Waals potential energy surfaces for the NO A2S+ + CO2X1Sg+ collision complex
in The Journal of Chemical Physics
Donovan R
(2022)
Heavy Rydberg and ion-pair states: chemistry, spectroscopy and theory
in International Reviews in Physical Chemistry
Moreno Carrascosa A
(2022)
Towards high-resolution X-ray scattering as a probe of electron correlation
in Physical Chemistry Chemical Physics
Northey T
(2024)
Extracting the electronic structure signal from X-ray and electron scattering in the gas phase.
in Journal of synchrotron radiation
Odate A
(2022)
Brighter, faster, stronger: ultrafast scattering of free molecules
in Advances in Physics: X
Razmus WO
(2022)
Multichannel photodissociation dynamics in CS2 studied by ultrafast electron diffraction.
in Physical chemistry chemical physics : PCCP