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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.
Digital Discovery|May 13, 2026
Accelerating discovery across scientific disciplines through reproducible workflows with AiiDAlabAliaksandr V Yakutovich, Daniel Hollas, Edan Bainglass, 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 Chemical Physics|April 6, 2026
e T 2.0: An efficient open-source molecular electronic structure programSarai Dery Folkestad, Eirik F Kjønstad, Alexander C Paul, et al.
The Journal of Chemical Physics|July 14, 2026
Perspective on a challenge: Predicting the photochemistry of cyclobutanoneJiří Janoš, Nanna Holmgaard List, Andrew J Orr-Ewing, et al.
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