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The Journal of Chemical Physics|December 31, 2022
ReaxFF-based nonadiabatic dynamics method for azobenzene derivativesHelena Osthues, Nikos L DoltsinisIscience|April 17, 2023
Thermal conductivity across transition metal dichalcogenide bilayersInsa F de Vries, Helena Osthues, Nikos L DoltsinisChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 29, 2023
Quantum Chemical Study of the Pressure-dependent Phosphorescence of [Cr(ddpd)<sub>2</sub> ]<sup>3+</sup> in the Solid StateChristoph Förster, Helena Osthues, Dominik Schwab, et al.Physical Chemistry Chemical Physics : PCCP|October 6, 2021
Covalent photofunctionalization and electronic repair of 2H-MoS<sub>2</sub>via nitrogen incorporationHelena Osthues, Christian Schwermann, Johann A Preuß, et al.Organic & Biomolecular Chemistry|January 10, 2022
One-step synthesis of indolizino[3,4,5-<i>ab</i>]isoindoles by manganese(I)-catalyzed C-H activation: structural studies and photophysical propertiesSara Cembellín, Iván Maisuls, Constantin G Daniliuc, et al.Dalton Transactions (Cambridge, England : 2003)|September 1, 2022
<i>bcc</i> superstructures: <i>RE</i><sub>2</sub>RuIn with <i>RE</i> = Sc, Y, Dy-Tm and LuNataliya L Gulay, Helena Osthues, Saeed Amirjalayer, et al.Journal of the American Chemical Society|March 8, 2024
The Electron-Rich and Nucleophilic N-Heterocyclic Imines on Metal Surfaces: Binding Modes and Interfacial Charge TransferJindong Ren, Mowpriya Das, Helena Osthues, et al.The Journal of Physical Chemistry. A|May 29, 2009
Formic acid dimerization: evidence for species diversity from first principles simulationsPawel Rodziewicz, Nikos L DoltsinisThe Journal of Chemical Physics|October 27, 2016
Towards understanding photomigration: Insights from atomistic simulations of azopolymer films explicitly including light-induced isomerization dynamicsMarcus Böckmann, Nikos L DoltsinisThe Journal of Chemical Physics|April 20, 2005
Comment on "Excitations in photoactive molecules from quantum Monte Carlo" [J. Chem. Phys. 121, 5836 (2004)]Nikos L Doltsinis, Karin FinkPageof 10