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Chemical Science|June 3, 2022
Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2'-yl)-o-carboraneLei Ji, Stefan Riese, Alexander Schmiedel, et al.Nature Communications|November 28, 2018
Competition between proton transfer and intermolecular Coulombic decay in waterClemens Richter, Daniel Hollas, Clara-Magdalena Saak, et al.Physical Chemistry Chemical Physics : PCCP|February 17, 2023
Jahn-Teller effects in initial and final states: high-resolution X-ray absorption, photoelectron and Auger spectroscopy of alleneEva Muchova, Daniel Hollas, David M P Holland, et al.ACS Central Science|January 30, 2019
Two Tryptophans Are Better Than One in Accelerating Electron Flow through a ProteinKana Takematsu, Heather R Williamson, Pavle Nikolovski, et al.Nature Chemistry|July 22, 2020
Tracking the ultraviolet-induced photochemistry of thiophenone during and after ultrafast ring openingShashank Pathak, Lea M Ibele, Rebecca Boll, et al.The Journal of Chemical Physics|January 9, 2026
Ultrafast x-ray scattering of photodissociation dynamics in 2-iodothiopheneWeronika O Razmus, Ian Gabalski, Felix Allum, et al.Digital Discovery|May 13, 2026
Accelerating discovery across scientific disciplines through reproducible workflows with AiiDAlabAliaksandr V Yakutovich, Daniel Hollas, Edan Bainglass, et al.Journal of the American Chemical Society|February 6, 2024
Monitoring the Evolution of Relative Product Populations at Early Times during a Photochemical ReactionJoao Pedro Figueira Nunes, Lea Maria Ibele, Shashank Pathak, et al.Npj Computational Materials|February 9, 2026
Making atomistic materials calculations accessible with the AiiDAlab Quantum ESPRESSO appXing Wang, Edan Bainglass, Miki Bonacci, et al.The Journal of Physical Chemistry. A|July 15, 2025
Roadmap for Molecular Benchmarks in Nonadiabatic DynamicsLéon L E Cigrang, Basile F E Curchod, Rebecca A Ingle, et al.Pageof 12