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The Journal of Physical Chemistry. B|January 29, 2008
Relevance of the electric-dipole--electric-quadrupole contribution to Raman optical activity spectraSandra Luber, Carmen Herrmann, Markus ReiherThe Journal of Chemical Physics|February 19, 2009
Intensity tracking for theoretical infrared spectroscopy of large moleculesSandra Luber, Johannes Neugebauer, Markus ReiherPhysical Chemistry Chemical Physics : PCCP|February 18, 2022
The photodissociation of solvated cyclopropanone and its hydrate explored via non-adiabatic molecular dynamics using ΔSCFEva Vandaele, Momir Mališ, Sandra LuberThe Journal of Chemical Physics|April 9, 2022
The ΔSCF method for non-adiabatic dynamics of systems in the liquid phaseEva Vandaele, Momir Mališ, Sandra LuberThe Journal of Chemical Physics|September 8, 2014
Raman spectra from ab initio molecular dynamics and its application to liquid S-methyloxiraneSandra Luber, Marcella Iannuzzi, Jürg HutterJournal of Chemical Theory and Computation|July 22, 2025
Bridging the Gap between Variational and Perturbational DFT-Based Methods for Calculating Excited StatesAndrey Sinyavskiy, Momir Mališ, Sandra LuberThe Journal of Physical Chemistry Letters|February 16, 2022
Machine Learning-Assisted Discovery of Hidden States in Expanded Free Energy SpaceRangsiman Ketkaew, Fabrizio Creazzo, Sandra LuberThe Journal of Chemical Physics|February 2, 2010
Enhancement and de-enhancement effects in vibrational resonance Raman optical activitySandra Luber, Johannes Neugebauer, Markus ReiherJournal of Chemical Theory and Computation|January 4, 2024
A Local Diabatisation Method for Two-State Adiabatic Conical IntersectionsEva Vandaele, Momir Mališ, Sandra LuberPhysical Chemistry Chemical Physics : PCCP|May 22, 2023
The position operator problem in periodic calculations with an emphasis on theoretical spectroscopyEdward Ditler, Johann Mattiat, Sandra LuberPageof 72