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The Journal of Physical Chemistry Letters|June 26, 2020
On-Surface Chemistry Induced by Long-Lived Excitons: (NO)<sub>2</sub> Dissociation on C<sub>60</sub>Christian Schwermann, Steffen Linden, Nikos L Doltsinis, et al.
The Journal of Chemical Physics|September 7, 2013
Mimicking photoisomerisation of azo-materials by a force field switch derived from nonadiabatic ab initio simulations: application to photoswitchable helical foldamers in solutionMarcus Böckmann, Sebastian Braun, Nikos L Doltsinis, et al.
Molecules (Basel, Switzerland)|October 29, 2020
Dynamic Structure and Stability of DNA Duplexes Bearing a Dinuclear Hg(II)-Mediated Base PairJim Bachmann, Isabell Schönrath, Jens Müller, et al.
Physical Chemistry Chemical Physics : PCCP|May 19, 2021
Multiscale modelling of charge transport in P3HT:DIPBI bulk heterojunction organic solar cellsTobias Koch, Jim Bachmann, Tobias Lettmann, et al.
The Journal of Chemical Physics|March 3, 2005
Targeted Car-Parrinello molecular dynamics: elucidating double proton transfer in formic acid dimerPhineus R L Markwick, Nikos L Doltsinis, Dominik Marx
The Journal of Chemical Physics|February 9, 2007
Probing irradiation induced DNA damage mechanisms using excited state Car-Parrinello molecular dynamicsPhineus R L Markwick, Nikos L Doltsinis, Jürgen Schlitter
Iscience|April 17, 2023
Thermal conductivity across transition metal dichalcogenide bilayersInsa F de Vries, Helena Osthues, Nikos L Doltsinis
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|April 12, 2008
Transport processes at alpha-quartz-water interfaces: insights from first-principles molecular dynamics simulationsWaheed A Adeagbo, Nikos L Doltsinis, Ksenia Klevakina, et al.
The Journal of Chemical Physics|March 2, 2026
Exploring the response of photoswitchable polymer networks by atomistic simulationsAlex Oster, Carl L Giard, Saeed Amirjalayer, et al.
Dalton Transactions (Cambridge, England : 2003)|June 19, 2019
Copper(ii)-mediated base pairing involving the artificial nucleobase 3H-imidazo[4,5-f]quinolin-5-olNikolas Sandmann, Jim Bachmann, Alexander Hepp, et al.
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