Nov 10, 20233 minVarying the active space changes conical intersection topography in DNA/RNA nucleobasesWe show strong electron correlation has severe effects to conical intersection topographies in minimum energy conical intersections of...
Jun 1, 20233 minOpenMolcas: 2023 releaseWe have contributed to some of the new developments included in the latest release of the OpenMolcas electronic structure package...
May 27, 20232 minQuantum Chemistry of the Excited State 2020–2021: an overviewOur most recent review of recent excited state quantum chemistry studies in the literature is out in the Specialist Progress Reports in...
May 25, 20233 minBook chapter in Theoretical and Computational Photochemistry: nonlinear spectroscopiesWe have contributed a book chapter reviewing different methods to model linear and nonlinear spectroscopies in molecular systems...
Dec 10, 20223 min3-Methylation and its effects in the photoionisation of uracilWe studied the photoionisation mechanisms of uracil and its 1-, 3- and 5-methylated derivatives. We found that substituting in 3-...