Skip to main content
European Commission logo
English English
CORDIS - EU research results
CORDIS
CORDIS Web 30th anniversary CORDIS Web 30th anniversary

Energy and charge transfer nonadiabatic dynamics in light-harvesting molecules and nanostructures

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Ultrafast Photodynamics of Glucose

Author(s): Jens Petersen, Joachim O. Lindner, Roland Mitrić
Published in: The Journal of Physical Chemistry B, Issue 122/1, 2017, Page(s) 19-27, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.7b08602

The mechanism of excimer formation: an experimental and theoretical study on the pyrene dimer

Author(s): Joscha Hoche, Hans-Christian Schmitt, Alexander Humeniuk, Ingo Fischer, Roland Mitrić, Merle I. S. Röhr
Published in: Physical Chemistry Chemical Physics, Issue 19/36, 2017, Page(s) 25002-25015, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c7cp03990e

Femtosecond time-resolved photoelectron spectroscopy of the benzyl radical

Author(s): A. Röder, A. Humeniuk, J. Giegerich, I. Fischer, L. Poisson, R. Mitrić
Published in: Physical Chemistry Chemical Physics, Issue 19/19, 2017, Page(s) 12365-12374, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c7cp01437f

Deciphering environment effects in peptide bond solvation dynamics by experiment and theory

Author(s): Matthias Wohlgemuth, Mitsuhiko Miyazaki, Kohei Tsukada, Martin Weiler, Otto Dopfer, Masaaki Fujii, Roland Mitrić
Published in: Physical Chemistry Chemical Physics, Issue 19/33, 2017, Page(s) 22564-22572, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c7cp03992a

DFTBaby: A software package for non-adiabatic molecular dynamics simulations based on long-range corrected tight-binding TD-DFT(B)

Author(s): Alexander Humeniuk, Roland Mitrić
Published in: Computer Physics Communications, Issue 221, 2017, Page(s) 174-202, ISSN 0010-4655
Publisher: Elsevier BV
DOI: 10.1016/j.cpc.2017.08.012

Exciton Dynamics from Strong to Weak Coupling Limit Illustrated on a Series of Squaraine Dimers

Author(s): Merle I. S. Röhr, Henning Marciniak, Joscha Hoche, Maximilian H. Schreck, Harald Ceymann, Roland Mitric, Christoph Lambert
Published in: The Journal of Physical Chemistry C, Issue 122/15, 2018, Page(s) 8082-8093, ISSN 1932-7447
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.8b00847

Long-range correction for tight-binding TD-DFT

Author(s): Alexander Humeniuk, Roland Mitrić
Published in: The Journal of Chemical Physics, Issue 143/13, 2015, Page(s) 134120, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.4931179

Optimal control of light propagation and exciton transfer in arrays of molecular-like noble-metal clusters

Author(s): Polina G. Lisinetskaya, Roland Mitrić
Published in: Physical Review B, Issue 91/12, 2015, ISSN 1098-0121
Publisher: American Physical Society
DOI: 10.1103/PhysRevB.91.125436

Photochemical Chiral Symmetry Breaking in Alanine

Author(s): Matthias Wohlgemuth, Roland Mitrić
Published in: The Journal of Physical Chemistry A, 2016, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.6b07611

First-principles simulation of light propagation and exciton dynamics in metal cluster nanostructures

Author(s): Polina G. Lisinetskaya, Merle I. S. Röhr, Roland Mitrić
Published in: Applied Physics B, Issue 122/6, 2016, ISSN 0946-2171
Publisher: Springer Verlag
DOI: 10.1007/s00340-016-6436-6

Non-adiabatic dynamics around a conical intersection with surface-hopping coupled coherent states

Author(s): Alexander Humeniuk, Roland Mitrić
Published in: The Journal of Chemical Physics, Issue 144/23, 2016, Page(s) 234108, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.4954189

Excitonic Properties of Ordered Metal Nanocluster Arrays: 2D Silver Clusters at Multiporphyrin Templates

Author(s): Merle I. S. Röhr, Polina G. Lisinetskaya, Roland Mitric
Published in: The Journal of Physical Chemistry A, Issue 120/26, 2016, Page(s) 4465-4472, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.6b04243

Excited state nonadiabatic dynamics of bare and hydrated anionic gold clusters Au 3 − [H 2 O] n (n = 0–2)

Author(s): Polina G. Lisinetskaya, Christian Braun, Sebastian Proch, Young Dok Kim, Gerd Ganteför, Roland Mitrić
Published in: Phys. Chem. Chem. Phys., Issue 18/9, 2016, Page(s) 6411-6419, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/C5CP04297F

Energy Transfer Between Squaraine Polymer Sections: From Helix to Zigzag and All the Way Back

Author(s): Christoph Lambert, Federico Koch, Sebastian F. Völker, Alexander Schmiedel, Marco Holzapfel, Alexander Humeniuk, Merle I. S. Röhr, Roland Mitric, Tobias Brixner
Published in: Journal of the American Chemical Society, Issue 137/24, 2015, Page(s) 7851-7861, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.5b03644

Comparison of moving and fixed basis sets for nonadiabatic quantum dynamics at conical intersections

Author(s): Evgenii Titov, Alexander Humeniuk, Roland Mitrić
Published in: Chemical Physics, Issue 528, 2020, Page(s) 110526, ISSN 0301-0104
Publisher: Elsevier BV
DOI: 10.1016/j.chemphys.2019.110526

The origin of the solvent dependence of fluorescence quantum yields in dipolar merocyanine dyes

Author(s): Joscha Hoche, Alexander Schulz, Lysanne Monika Dietrich, Alexander Humeniuk, Matthias Stolte, David Schmidt, Tobias Brixner, Frank Würthner, Roland Mitric
Published in: Chemical Science, Issue 10/48, 2019, Page(s) 11013-11022, ISSN 2041-6520
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9sc05012d

Exploring the Excited-State Dynamics of Hydrocarbon Radicals, Biradicals, and Carbenes Using Time-Resolved Photoelectron Spectroscopy and Field-Induced Surface Hopping Simulations

Author(s): Anja Röder, Jens Petersen, Kevin Issler, Ingo Fischer, Roland Mitrić, Lionel Poisson
Published in: The Journal of Physical Chemistry A, Issue 123/50, 2019, Page(s) 10643-10662, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.9b06346

Collective Response in DNA-Stabilized Silver Cluster Assemblies from First-Principles Simulations

Author(s): Polina G. Lisinetskaya, Roland Mitrić
Published in: The Journal of Physical Chemistry Letters, Issue 10/24, 2019, Page(s) 7884-7889, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.9b03136

metaFALCON: A Program Package for Automatic Sampling of Conical Intersection Seams Using Multistate Metadynamics

Author(s): Joachim O. Lindner, Karina Sultangaleeva, Merle I. S. Röhr, Roland Mitrić
Published in: Journal of Chemical Theory and Computation, Issue 15/6, 2019, Page(s) 3450-3460, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.1021/acs.jctc.9b00029

Dynamic exciton localisation in a pyrene–BODIPY–pyrene dye conjugate

Author(s): Nina Auerhammer, Alexander Schulz, Alexander Schmiedel, Marco Holzapfel, Joscha Hoche, Merle I. S. Röhr, Roland Mitric, Christoph Lambert
Published in: Physical Chemistry Chemical Physics, Issue 21/18, 2019, Page(s) 9013-9025, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c9cp00908f

Exciton localization in excited-state dynamics of a tetracene trimer: a surface hopping LC-TDDFTB study

Author(s): Evgenii Titov, Alexander Humeniuk, Roland Mitrić
Published in: Physical Chemistry Chemical Physics, Issue 20/40, 2018, Page(s) 25995-26007, ISSN 1463-9076
Publisher: Royal Society of Chemistry
DOI: 10.1039/c8cp05240a

Multistate metadynamics for automatic exploration of conical intersections

Author(s): Joachim O. Lindner, Merle I. S. Röhr, Roland Mitrić
Published in: Physical Review A, Issue 97/5, 2018, ISSN 2469-9926
Publisher: American Physical Society
DOI: 10.1103/PhysRevA.97.052502

Predicting fluorescence quantum yields for molecules in solution: A critical assessment of the harmonic approximation and the choice of the lineshape function

Author(s): Alexander Humeniuk, Margarita Bužančić, Joscha Hoche, Javier Cerezo, Roland Mitrić, Fabrizio Santoro, Vlasta Bonačić-Koutecký
Published in: The Journal of Chemical Physics, Issue 152/5, 2020, Page(s) 054107, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.5143212

Tetraiododiborane(4) (B 2 I 4 ) is a Polymer Based on sp 3 Boron in the Solid State

Author(s): Jonas H. Muessig, Polina Lisinetskaya, Rian D. Dewhurst, Rüdiger Bertermann, Melanie Thaler, Roland Mitrić, Holger Braunschweig
Published in: Angewandte Chemie International Edition, Issue 59/14, 2020, Page(s) 5531-5535, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201913590

Dibortetraiodid (B 2 I 4 ) ist im Festkörper ein Polymer aus sp 3 ‐hybridisiertem Bor

Author(s): Jonas H. Muessig, Polina Lisinetskaya, Rian D. Dewhurst, Rüdiger Bertermann, Melanie Thaler, Roland Mitrić, Holger Braunschweig
Published in: Angewandte Chemie, Issue 132/14, 2020, Page(s) 5574-5579, ISSN 0044-8249
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/ange.201913590

Searching for OpenAIRE data...

There was an error trying to search data from OpenAIRE

No results available