Jan-Michael Mewes
Jan-Michael Mewes
Mulliken Center for Theoretical Chemistry, Bonn University, Germany
Bestätigte E-Mail-Adresse bei thch.uni-bonn.de
TitelZitiert vonJahr
Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution
JM Mewes, ZQ You, M Wormit, T Kriesche, JM Herbert, A Dreuw
The Journal of Physical Chemistry A 119 (21), 5446-5464, 2015
712015
Quantum chemical excited state calculations on pigment–protein complexes require thorough geometry re-optimization of experimental crystal structures
A Dreuw, PHP Harbach, JM Mewes, M Wormit
Theoretical Chemistry Accounts 125 (3-6), 419-426, 2010
372010
On the molecular mechanism of non-radiative decay of nitrobenzene and the unforeseen challenges this simple molecule holds for electronic structure theory
JM Mewes, V Jovanović, CM Marian, A Dreuw
Physical Chemistry Chemical Physics 16 (24), 12393-12406, 2014
322014
On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground-and excited states in solution
JM Mewes, JM Herbert, A Dreuw
Physical Chemistry Chemical Physics 19 (2), 1644-1654, 2017
302017
Excitons in poly (para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations
SA Mewes, JM Mewes, A Dreuw, F Plasser
Physical Chemistry Chemical Physics 18 (4), 2548-2563, 2016
272016
Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models
ZQ You, JM Mewes, A Dreuw, JM Herbert
The Journal of chemical physics 143 (20), 204104, 2015
232015
Excitation energy transfer and carotenoid radical cation formation in light harvesting complexes—A theoretical perspective
M Wormit, PHP Harbach, JM Mewes, S Amarie, J Wachtveitl, A Dreuw
Biochimica et Biophysica Acta (BBA)-Bioenergetics 1787 (6), 738-746, 2009
232009
Mechanism of the photoinduced uncaging reaction of puromycin protected by a 6-nitroveratryloxycarbonyl group
J Kohl-Landgraf, F Buhr, D Lefrancois, JM Mewes, H Schwalbe, A Dreuw, ...
Journal of the American Chemical Society 136 (9), 3430-3438, 2014
162014
How Boron Doping Shapes the Optoelectronic Properties of Canonical and Phenylene‐Containing Oligoacenes: A Combined Experimental and Theoretical Investigation
S Kirschner, JM Mewes, M Bolte, HW Lerner, A Dreuw, M Wagner
Chemistry–A European Journal 23 (21), 5104-5116, 2017
152017
Modeling TADF in organic emitters requires a careful consideration of the environment and going beyond the Franck–Condon approximation
JM Mewes
Physical Chemistry Chemical Physics 20 (18), 12454-12469, 2018
132018
Signatures and control of strong-field dynamics in a complex system
K Meyer, Z Liu, N Müller, JM Mewes, A Dreuw, T Buckup, M Motzkus, ...
Proceedings of the National Academy of Sciences 112 (51), 15613-15618, 2015
132015
On the role of singlet versus triplet excited states in the uncaging of ortho-nitrobenzyl caged compounds
JM Mewes, A Dreuw
Physical Chemistry Chemical Physics 15 (18), 6691-6698, 2013
132013
Molecular Mechanism of Uncaging CO2 from Nitrophenylacetate Provides General Guidelines for Improved ortho‐Nitrobenzyl Cages
JM Mewes, K Neumann, MK Verhoefen, G Wille, J Wachtveitl, A Dreuw
ChemPhysChem 12 (11), 2077-2080, 2011
122011
Charge-transfer states in triazole linked donor–acceptor materials: strong effects of chemical modification and solvation
P Kautny, F Glöcklhofer, T Kader, JM Mewes, B Stöger, J Fröhlich, ...
Physical Chemistry Chemical Physics 19 (27), 18055-18067, 2017
92017
Combined Theoretical and Experimental Investigation of the Photodecarboxylation of Nitrophenylacetates and Its Implications for the Design of Improved ortho-Nitrobenzylic …
JM Mewes, E Pepler, J Wachtveitl, A Dreuw
The Journal of Physical Chemistry A 116 (48), 11846-11862, 2012
82012
The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory
KG Steenbergen, JM Mewes, LF Pašteka, HW Gäggeler, G Kresse, E Pahl, ...
Physical Chemistry Chemical Physics 19 (48), 32286-32295, 2017
72017
Investigating the CO 2 uncaging mechanism of nitrophenylacetates by means of fs-IR spectroscopy and quantum chemical calculations
K Neumann, MK Verhoefen, JM Mewes, A Dreuw, J Wachtveitl
Physical Chemistry Chemical Physics 13 (38), 17367-17377, 2011
72011
9, 9-Dimethyl-9-silafluorene
J Mewes, HW Lerner, M Bolte
Acta Crystallographica Section E: Structure Reports Online 65 (3), o451-o451, 2009
52009
Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Plane-Wave Relativistic Density Functional Theory
P Jerabek, OR Smits, J Mewes, KA Peterson, P Schwerdtfeger
The Journal of Physical Chemistry A, 2019
42019
Unravelling the early photochemical behavior of (8-substituted-7-hydroxyquinolinyl) methyl acetates through electronic structure theory and ultrafast transient absorption …
J Ma, JM Mewes, KT Harris, TM Dore, DL Phillips, A Dreuw
Physical Chemistry Chemical Physics 19 (2), 1089-1096, 2017
22017
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