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Physical Chemistry Chemical Physics : PCCP|June 17, 2022
Probing the molecular structure of aqueous triiodide <i>via</i> X-ray photoelectron spectroscopy and correlated electron phenomenaMd Sabbir Ahsan, Vladislav Kochetov, Dennis Hein, et al.Physical Review Letters|September 10, 2013
State-dependent electron delocalization dynamics at the solute-solvent interface: soft-x-ray absorption spectroscopy and ab initio calculationsSergey I Bokarev, Marcus Dantz, Edlira Suljoti, et al.Molecules (Basel, Switzerland)|July 29, 2023
Valence and Core Photoelectron Spectra of Aqueous I3- from Multi-Reference Quantum ChemistryVladislav Kochetov, Md Sabbir Ahsan, Dennis Hein, et al.The Journal of Chemical Physics|February 19, 2026
Optimal initial condition sampling for multi-configurational Ehrenfest dynamicsThies Romig, Francesco Montorsi, Francesco Segatta, et al.The Journal of Chemical Physics|November 23, 2017
A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopySven Karsten, Sergey I Bokarev, Saadullah G Aziz, et al.The Journal of Physical Chemistry Letters|February 5, 2017
Nuclear Dynamical Correlation Effects in X-ray Spectroscopy from a Theoretical Time-Domain PerspectiveSven Karsten, Sergei D Ivanov, Saadullah G Aziz, et al.Journal of Chemical Theory and Computation|June 23, 2022
Multireference Approach to Normal and Resonant Auger Spectra Based on the One-Center ApproximationBruno Nunes Cabral Tenorio, Torben Arne Voß, Sergey I Bokarev, et al.Journal of Chemical Theory and Computation|April 28, 2023
A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular AggregatesAndy Kaiser, Razan E Daoud, Francesco Aquilante, et al.Journal of Chemical Theory and Computation|January 2, 2025
Non-Resonant Magnetic X-ray Scattering as a Probe of Ultrafast Molecular Spin-State Dynamics: An Ab Initio TheoryXiaoyu Mi, Ming Zhang, Leshi Zhao, et al.Chemical Science|February 16, 2023
Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes?J Patrick Zobel, Ayla Kruse, Omar Baig, et al.Pageof 4