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Journal of Chemical Theory and Computation|September 23, 2016
Modeling Liquid Photoemission Spectra: Path-Integral Molecular Dynamics Combined with Tuned Range-Separated Hybrid FunctionalsDaniel Hollas, Eva Muchová, Petr Slavíček
The Journal of Physical Chemistry. A|October 3, 2024
AtmoSpec-A Tool to Calculate Photoabsorption Cross-Sections for Atmospheric Volatile Organic CompoundsDaniel Hollas, Basile F E Curchod
Physical Chemistry Chemical Physics : PCCP|June 11, 2013
Reaction selectivity in an ionized water dimer: nonadiabatic ab initio dynamics simulationsOndřej Svoboda, Daniel Hollas, Milan Ončák, et al.
The Journal of Physical Chemistry. A|August 9, 2023
Deciphering the Influence of Ground-State Distributions on the Calculation of Photolysis ObservablesAntonio Prlj, Daniel Hollas, Basile F E Curchod
The Journal of Physical Chemistry Letters|December 21, 2022
Extending the Applicability of the Multiple-Spawning Framework for Nonadiabatic Molecular DynamicsYorick Lassmann, Daniel Hollas, Basile F E Curchod
Journal of Chemical Theory and Computation|November 18, 2015
On the Performance of Optimally Tuned Range-Separated Hybrid Functionals for X-ray Absorption ModelingPaulo Cabral do Couto, Daniel Hollas, Petr Slavíček
Faraday Discussions|September 28, 2018
On the importance of initial conditions for excited-state dynamicsJiří Suchan, Daniel Hollas, Basile F E Curchod, et al.
Journal of Chemical Theory and Computation|March 28, 2020
Hamiltonian-Reservoir Replica Exchange and Machine Learning Potentials for Computational Organic ChemistryRaimon Fabregat, Alberto Fabrizio, Benjamin Meyer, et al.
Physical Chemistry Chemical Physics : PCCP|March 15, 2019
Mechanisms of fluorescence quenching in prototypical aggregation-induced emission systems: excited state dynamics with TD-DFTBThierry Tran, Antonio Prlj, Kun-Han Lin, et al.
The Journal of Physical Chemistry. A|September 26, 2025
Benchmarking Electronic-Structure Methods for the Description of Dark Transitions in Carbonyls at and Beyond the Franck-Condon PointJasmine Bone, Javier Carmona-García, Daniel Hollas, et al.
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