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The Journal of Chemical Physics|April 30, 2022
Accurate, affordable, and generalizable machine learning simulations of transition metal x-ray absorption spectra using the XANESNET deep neural networkC D Rankine, T J PenfoldThe Journal of Physical Chemistry. A|March 17, 2021
Progress in the Theory of X-ray Spectroscopy: From Quantum Chemistry to Machine Learning and Ultrafast DynamicsC D Rankine, T J PenfoldThe Journal of Chemical Physics|April 15, 2024
The photochemistry of Rydberg-excited cyclobutanone: Photoinduced processes and ground state dynamicsJ Eng, C D Rankine, T J PenfoldThe Journal of Physical Chemistry. A|May 6, 2020
A Deep Neural Network for the Rapid Prediction of X-ray Absorption SpectraC D Rankine, M M M Madkhali, T J PenfoldPhysical Chemistry Chemical Physics : PCCP|October 11, 2016
A theoretical investigation of internal conversion in 1,2-dithiane using non-adiabatic multiconfigurational molecular dynamicsC D Rankine, J P F Nunes, M S Robinson, et al.Physical Chemistry Chemical Physics : PCCP|May 20, 2024
Photo-induced structural dynamics of o-nitrophenol by ultrafast electron diffractionJ P F Nunes, M Williams, J Yang, et al.Pageof 1