Publications

    1. E Caldeweyher, JM Mewes, S Ehlert, S Grimme (2020)
      “Extension and Evaluation of the D4 London Dispersion Model for Periodic Systems”
      in Physical Chemistry Chemical Physics, 22, 8499-8512

    2. JM Mewes, OR Smits, G Kresse and P Schwerdtfeger (2019)
      “Copernicium is a Relativistic Noble Liquid”
      in Angewandte Chemie International Edition, 58, 17964-17968

    3. JM Mewes, P Jerabek, OR Smits and P Schwerdtfeger (2019)
      “Oganesson is a Semiconductor: On the Relativistic Band-Gap Narrowing in the Heaviest Noble-Gas Solids”
      in Angewandte Chemie International Edition (also German Edition), 58, 14260 (Hot Paper)

    4. L Trombach, S Ehlert, S Grimme, P Schwerdtfeger and JM Mewes (2019)
      “Exploring the chemistry of the super-heavy main-group elements by means of periodic plane-wave DFT and Grimme’s D3 dispersion correction”
      in Physical Chemistry Chemical Physics, 21, 18048-18058 (Front Cover, HOT Article)

    5. P Jerabek, OR Smits, JM Mewes, KA Peterson and P Schwerdtfeger (2019)
      “Solid Oganesson via a Many-Body Interaction Expansion Based on Relativistic Coupled-Cluster Theory and from Relativistic Plane-Wave Density-Functional Theory”
      Journal of Physical Chemistry A, 123, 4201-4211 (Leo Radom Festschrift)

    6. JM Mewes (2018)
      “Modeling TADF in organic emitters requires a careful consideration of the environment and going beyond the Franck–Condon approximation”
      in Physical Chemistry Chemical Physics, 20, 12454-12469 (HOT Article)

    7. JM Mewes, P Jerabek, DS Bohle and P Schwerdtfeger (2018)
      “The Light‐Driven Isomerization of Aqueous Nitrate: A Theoretical Perspective”
      in ChemPhotoChem, 2 (8), 725-733 (Font Cover)

    1. KG Steenbergen, JM Mewes, LF Pašteka, HW Gäggeler, G Kresse, E Pahl and P Schwerdtfeger (2017):
      “The cohesive energy of superheavy element copernicium determined from accurate relativistic coupled-cluster theory”
      in Physical Chemistry Chemical Physics, 19, 32286-32295 (HOT Article)

    2. P Kautny, F Glöcklhofer, T Kader, JM Mewes, B Stöger, J Fröhlich, D Lumpi and F Plasser (2017):
      “Charge transfer states in triazole linked donor-acceptor materials: strong effects of chemical modifications and solvation”
      in Physical Chemistry Chemical Physics, 19, 18055-18067

    3. S Kirschner, JM Mewes, M Bolte, HW Lerner, A Dreuw, M Wagner (2017):
      “How boron doping shapes the optoelectronic properties of canonical and phenylene‐containing oligoacenes− a combined experimental and theoretical investigation”
      In Chemistry – A European Journal 23, 5104-5116

    4. J Ma, JM Mewes, KT Harris, TM Dore, A Dreuw, DL Phillips (2017):
      “Unravelling the early photochemical behavior of (8-substituted-7-hydroxyquinolinyl) methyl acetates through electronic structure theory and ultrafast transient absorption spectroscopy”
      In Physical Chemistry Chemical Physics 19, 1089-1096

    5. JM Mewes, JM Herbert and A Dreuw (2017):
      “On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground-and excited states in solution”
      In Physical Chemistry Chemical Physics, 19, 1644-1654

    6. K Meyer, Z Liu, N Müller, JM Mewes, A Dreuw, T Buckup, M Motzkus, T Pfeifer (2016):
      “Signatures and control of strong-field dynamics in a complex system”
      In Proceedings of the National Academy of Sciences 112, 15613-15618

    7. SA Mewes, JM Mewes, A Dreuw, F Plasser (2015):
      “Excitons in Poly(Para Phenylene Vinylene): A Quantum-Chemical Perspective Based on High-Level Ab-Initio Calculations”
      in Physical Chemistry Chemical Physics 18, 2548-2563

    8. ZQ You, JM Mewes, A Dreuw and JM Herbert (2015):
      “Comparison of the Marcus and Pekar Partitions in the Context of non-Equilibrium, Polarizable-Continuum Solvation Models”
      In The Journal of chemical physics 143, 204104

    9. JM Mewes, ZQ You, M Wormit, T Kriesche, JM Herbert and A Dreuw (2015):
      “Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution”
      In Journal of Physical Chemistry A, 119, 5446-5464 (Jacobo Tomasi Festschrift)

    10. JM Mewes, V Jovanović, CM Marian and A Dreuw (2014):
      “On the Molecular Mechanism of non-Radiative Decay of Nitrobenzene and the Unforeseen Challenges this Simple Molecule Holds for Electronic Structure Theory”
      In Physical Chemistry Chemical Physics 16, 12393-12404.

    11. J Kohl-Landgraf, F Buhr, D Lefrancois, JM Mewes, H Schwalbe, A Dreuw and J Wachtveitl (2014):
      “Mechanism of the Photoinduced Uncaging Reaction of Puromycin Protected by a 6-Nitroveratryloxycarbonyl Goup”
      In Journal of the American Chemical Society 136, 3430-3438

    1. JM Mewes and A Dreuw (2013):
      “On the Role of Singlet Versus Triplet Excited States in the Uncaging of Ortho-Nitrobenzyl Caged Compounds”
      In Physical Chemistry Chemical Physics 15 (18), 6691-6698

    2. JM Mewes, E Pepler, J Wachtveitl and A Dreuw (2012):
      “Combined Theoretical and Experimental Investigation of the Photodecarboxylation of Nitrophenylacetates and Its Implications for the Design of Improved ortho-Nitrobenzylic Caging Groups”
      In Journal of Physical Chemistry A 116 (48), 11846-11862

    3. JM Mewes, K Neumann, MK Verhoefen, G Wille, J Wachtveitl and A Dreuw (2011):
      “Molecular Mechanism of Uncaging CO2 from Nitrophenylacetate Provides General Guidelines for Improved ortho‐Nitrobenzyl Cages”
      In ChemPhysChem 12 (11), 2077-2080

    4. K Neumann, MK Verhoefen, JM Mewes, A Dreuw and J Wachtveitl (2011):
      “Investigating the CO2 Uncaging Mechanism of Nitrophenylacetates by Means of fs-IR Spectroscopy and Quantum Chemical Calculations”
      In Physical Chemistry Chemical Physics 13 (38), 17367-17377

    5. A Dreuw, PHP Harbach, JM Mewes and M Wormit (2010):
      “Quantum Chemical Excited-State Calculations on Pigment–Protein Complexes Require Thorough Geometry re-Optimization of Experimental Crystal Structures”
      in Theoretical Chemistry Accounts 125 (3-6), 419-426

    6. M Wormit, PHP Harbach, JM Mewes, S Amarie, J Wachtveitl and A Dreuw (2009):
      “Excitation-Energy Transfer and Carotenoid Radical Cation Formation in Light Harvesting Complexes—A Theoretical Perspective”

      in Biochimica et Biophysica Acta - Bioenergetics 1787 (6), 738-746

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