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OpenMolcas: 2023 release
We have contributed to some of the new developments included in the latest release of the OpenMolcas electronic structure package...
Jun 1, 20233 min read


Quantum Chemistry of the Excited State 2020–2021: an overview
Our most recent review of recent excited state quantum chemistry studies in the literature is out in the Specialist Progress Reports in...
May 27, 20232 min read


Book chapter in Theoretical and Computational Photochemistry: nonlinear spectroscopies
We have contributed a book chapter reviewing different methods to model linear and nonlinear spectroscopies in molecular systems...
May 25, 20233 min read


Photoionisation of DNA derivative Isocytosine
Photoionisation mechanisms in isocytosine, an isomer of DNA nucleobase cytosine, are studied to assess whether they might have...
Nov 11, 20212 min read
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