Publikationen Gregor Diezemann

2021 -

  1. Nonlinear response theory for Markov processes IV: The asymmetric double-well potential model revisited
    G. Diezemann
    Phys. Rev. E 106 064122 (2022)
  1. Force probe simulations using an adaptive resolution scheme
    M. Oestereich, J. Gauss and G. Diezemann
    J. Phys. Cond. Mat. 33 194005 (2021)

2016 - 2020

  1. Supramolecular Packing Drives Morphological Transitions of Charged Surfactant Micelles
    K. Schäfer, H.B. Kolli, M.K. Christensen, S.L. Bore, G. Diezemann, J. Gauss, G. Milano, R. Lund and M. Cascella
    Angew. Chem. Int. Ed. 59 2 (2020)
  1. Force dependent folding pathways in mechanically interlocked calixarene dimers via atomistic force quench simulations
    K. Schäfer and G. Diezemann
    Mol. Phys. 118 e1743886 (2020)
  1. Temperature dependent mechanical unfolding of calixarene nanocapsules studied by molecular dynamics simulations
    T. Kato, K. Schäfer, S. Jaschonek, J. Gauss and G. Diezemann
    J. Chem. Phys. 151 045201 (2019)
  1. Mechanical and structural tuning of reversible hydrogen bonding in interlocked calixarene nanocapsules
    S. Jaschonek, K. Schäfer and G. Diezemann
    J. Phys. Chem. B119 123 4688 (2019)
  1. Nonlinear response theory for Markov processes III: Stochastic models for dipole reorientations
    G. Diezemann
    Phys. Rev. E 98 042106 (2018)
  1. Stochastic Models of Higher Order Dielectric Responses in Nonlinear Dielectric Spectroscopy
    G. Diezemann
    in "Nonlinear Dielectric Spectroscopy" Ed. R. Richert, Springer, Berlin (2018)
  1. A Fundamental Catalytic Difference between Zn and Mn Dependent Enzymes Revealed in a Bacterial Isatin Hydrolase
    T. Sommer, K. Bjerregaard-Andersen, L. Uribe, M. Etzerodt, G. Diezemann, J. Gauss, M. Cascella and J.P. Morth
    Scientific Reports 8, 13104-1-11 (2018)
  1. Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in Aqueous Environment
    H. B. Kolli, A. de Nicola, S. L. Bore, K. Schäfer, G. Diezemann, J. Gauss, T. Kawakatsu, Z.-Y. Lu, Y.-L. Zhu, G. Milano and M. Cascella
    J. Chem. Theor. Comp. 14, 4928-4937 (2018)
  1. Structural Origin of Metal Specificity in Isatin Hydrolase from Labrenzia Aggregata Investigated by Computer Simulations
    L. Uribe, G. Diezemann, J. Gauss, J.P. Morth and M. Cascella
    Chem. - Eur. J. 24, 5074-5077 (2018)
  1. Intramolecular Structural Parameters are Key Modulators of the Gel-Liquid Transition in Coarse Grained Simulations of DPPC and DOPC Lipid Bilayers
    S. Jaschonek, M. Cascella, J. Gauss, G. Diezemann and G. Milano
    Biochem. Biophys. Res. Commun. 498, 327-333 (2018)
  1. Dynamic Coarse-Graining Fills the Gap between Atomistic Simulations and Experimental Investigations of Mechanical Unfolding
    F. Knoch, K. Schäfer, G. Diezemann and T. Speck
    J. Chem. Phys. 148, 044109 (2018)
  1. Force Probe Simulations Using a Hybrid Scheme with Virtual Sites
    K. Schäfer, M. Oestereich, J. Gauss, and G. Diezemann
    J. Chem. Phys. 147, 134909 (2017)
  1. Nonlinear Response Theory for Markov Processes: II. Fifth-Order Response Functions
    G. Diezemann
    Phys. Rev. E 96 (2), 022150 (2017)
  1. Force Probe Simulations of a Reversibly Rebinding System: Impact of Pulling Device Stiffness
    S. Jaschonek and G. Diezemann
    J. Chem. Phys. 146 (12), 124901 (2017)
  1. Determining Factors for the Unfolding Pathway of Peptides, Peptoids, and Peptidic Foldamers
    L. Uribe, J. Gauss and G. Diezemann
    J. Phys. Chem. B 120 (40), 10433–10441 (2016)

2011 - 2015

  1. Comparative Study of the Mechanical Unfolding Pathways of α- and β-Peptides
    L. Uribe, J. Gauss and G. Diezemann
    J. Phys. Chem. B 119, 8313-8320 (2015)
  2. Mechanical Unfolding Pathway of a Model β-Peptide Foldamer
    L. Uribe, S. Jaschonek, J. Gauss and G. Diezemann
    J. Chem. Phys. 142, 204901-1-10 (2015)
  3. The temperature dependence of vibronic lineshapes: Linear electron-phonon coupling
    C. Roos, A. Köhn, J. Gauss and G. Diezemann
    J. Chem. Phys 141, 154110 (2014)
  4. Nonlinear response functions in an exponential trap model
    G. Diezemann
    J. Non-Cryst. Solids 407, 61-65 (2014)
  5. Statistics of reversible transitions in two-state trajectories in force-ramp spectroscopy
    G. Diezemann
    J. Chem. Phys. 140, 184905 (2014)
  6. Mechanical Properties of Single Molecules and Polymer Aggregates
    R. Berger, K. Binder, G. Diezemann, J. Gauss, M. Helm, H.-P. Hsu, A. Janshoff, T. Metzroth, I. Mey, A. Milchev, W. Paul, V.G. Rostiashvili and T.A. Vilgis
    Adv. Polym. Sci. 260, 1-60 (2014)
  7. Impact of local compressive stress on the optical transitions of single organic dye molecules
    S. Stöttinger, G. Hinze, G. Diezemann, I. Oesterling, K. Müllen and T. Basché
    Nature Nanotechnology 9, 182 (2014)
  8. Performance of Different Force Fields in Force Probe Simulations
    T. Schlesier and G. Diezemann
    J. Phys. Chem. B 117, 1862 (2013)
  9. Higher-order correlation functions and nonlinear response functions in a Gaussian trap model
    G. Diezemann
    J. Chem. Phys. 138, 12A505 (2013)
  10. Nonlinear response theory for Markov process: Simple models for glassy relaxation
    G. Diezemann
    Phys. Rev. E 85, 051502 (2012)
  11. Tunable Reversibility in Hydrogen-Bond Network Dynamics: Molecular Dynamics Simulations of Calix[4]arene Catenanes
    T. Schlesier, T. Metzroth, A. Janshoff, J. Gauss and G. Diezemann
    J. Phys. Chem. B. 115, 6445-6454 (2011)
  12. Memory effects in the relaxation of the Gaussian trap model
    G. Diezemann and A. Heuer
    Phys. Rev. E 83, 031505 (2011)

2006 - 2010

  1. Statistics of reversible bond dynamics observed in force clamp spectroscopy
    G. Diezemann, T. Schlesier, B. Geil und A. Janshoff
    Phys. Rev. E 82, 051132 (2010)
  2. Aging effects manifested in the potential energxy landscape of a model glass former
    C. Rehwald, N. Gnan, A. Heuer, T. Schroder, J.C. Dyre und G. Diezemann
    Phys. Rev. E 82, 021503 (2010)
  3. Combined Experimental and Theoretical Study of the Vibronic Spectra of Perylenecarboximides
    Florian P. Diehl, Claudia Roos, Hans-Christian Jankowiak, Robert Berger, Andreas Köhn, Gregor Diezemann and Thomas Basché
    J. Phys. Chem. B 114, 1638-1647 (2010)
  4. Mechanically Locked Nanocapsules under Force Allow Reversible Hydrogen Bond Breakage
    M. Janke, Y. Rudzevich, O. Malokanova, T. Metzroth, I. Mey, G. Diezemann, P.E. Marszalek, J. Gauss, V. Böhmer and A. Janshoff
    Nature Nanotechnoloy 4, 225-229 (2009)
  5. Force-clamp spectroscopy of reversible bond breakage
    G. Diezemann und A. Janshoff
    J. Chem. Phys. 130, 041101 (2009)
  6. Dynamic force spectroscopy: analysis of reversible bond-breaking dynamics
    G. Diezemann und A. Janshoff
    J. Chem. Phys. 129, 084904 (2008)
  7. Calculation of stimulated echoes and two-dimensional nuclear magnetic resonance spectra for solids with simple line shapes
    B. Geil, G. Diezemann and R. Böhmer
    J. Chem. Phys. 128, 114506 (2008)
  8. Theoretical investigation of electronic excitation energy transfer in bichromophoric assemblies
    B. Fückel, A. Köhn, M.E. Harding, G. Diezemann, G. Hinze, T. Basché and J. Gauss
    J. Chem. Phys. 128, 074505 (2008)
  9. Out-of-equilibrium dynamics in a gaussian trap model
    G. Diezemann
    J. Phys.: Condensed Matter 19, 205107 (2007)
  10. Correlation of primary relaxations and high-frequency modes in supercooled liquids. I. Theoretical background of a nuclear magnetic resonance experiment
    B. Geil, G. Diezemann, and R. Bohmer
    Phys. Rev. E 74, 041504 (2006)
  11. Flexibility of Phenylene Oligomers revealed by Single Molecule Spectroscopy
    B. Fückel, G. Hinze, G. Diezemann, F. Nolde, K. Müllen, J. Gauss and T. Basché
    J. Chem. Phys. 125, 144903 (2006)
  12. Correlation of primary and secondary relaxations in a supercooled liquid
    R. Böhmer, G. Diezemann, B. Geil, G. Hinze, A. Nowaczyk and M. Winterlich
    Phys. Rev. Lett. 97, 135701 (2006)
  13. Aging in a free-energy landscape model for glassy relaxation: II. Fluctuation-dissipation relations
    G. Diezemann and R. Böhmer
    J. Chem. Phys. 124, 214507 (2006)
  14. Aging effects in simple models for glassy relaxation
    G. Diezemann
    J. Non-Cryst. Solids 352, 4934 (2006)
  15. Magnetic resonance studies of the Heterogeneous rotational and translational dynamics in disordered materials
    R. Böhmer, G. Diezemann, G. Hinze, K.R. Jeffrey and M. Winterlich
    Modern Magnetic Resonance Part 3, Ed.: (G.A.)
  16. Kerr effect as a tool for the invesitgation of dynamic heterogeneities
    U. Häberle and G. Diezemann
    J. Chem. Phys. 124, 044501/1-8 (2006)

2001 - 2005

  1. Aging in a free-energy landscape model for glassy relaxation
    G. Diezemannn
    J. Chem. Phys. 123, 204510 (2005)
  2. Rotational motion in the molecular crystals metha- and ortho-carborane studied by deuteron nuclear magnetic resonance
    M. Winterlich, R. Böhmer, G. Diezemann and H. Zimmermann
    J. Chem. Phys. 123, 094504 (2005)
  3. Fluctuation-dissipation relations for Markov processes
    G. Diezemann
    Phys. Rev. E 72, 011104 (2005)
  4. Dynamic Kerr effect responses in the Terahertz-range
    U. Häberle and G. Diezemann
    J. Chem. Phys. 122, 184517/1-11 (2005)
  5. Rotational correlation functions of single molecules
    G. Hinze, G. Diezemann and Th. Basché
    Phys. Rev. Lett. 93, 203001 (2004)
  6. Simple modeling of dipolar coupled 7Li spins and stimulated-echo spectroscopy of single-crystalline βeucryptite
    F. Qi, G. Diezemann, H. Böhm, J. Lambert and R. Böhmer
    J. Magn. Res. 169, 225 (2004)
  7. Nonresonant holeburning in the Terahertz range: Brownian oscillator model
    U. Häberle and G. Diezemann
    J. Chem. Phys. 120, 1466 (2004)
  8. Microscopic origin of the nonexponential dynamics in a glassy crystal
    M. Winterlich, G. Diezemann, H. Zimmermann and R. Böhmer
    Phys. Rev. Lett. 91, 235504 (2003)
  9. Dynamic heterogeneities in the out-of-equilibrium dynamics of simple spherical spin models
    G. Diezemann
    Phys. Rev. E 68, 021105 (2003)
  10. Nuclear magnetic resonance and dielectric spectroscopy of a simple supercooled liquid: 2-methyl tetrahydrofuran
    F. Qi, T. El Goresy, R. Böhmer, A. Döß, G. Diezemann, G. Hinze, H. Sillescu, T. Blochowicz, C. Gainaru, E. Rössler and H. Zimmermann
    J. Chem. Phys. 118, 7431 (2003)
  11. Principles and applications of pulsed dielectric spectroscopy and nonresonant dielectric hole burning
    R. Böhmer and G. Diezemann
    in "Broadband Dielectric Spectroscopy" Ed. F. Kremer und A. Schönhals Springer, Berlin (2003)
  12. Heterogeneity at the Glass Transition: What do we know?
    H. Sillescu, R. Böhmer, G. Diezemann and G. Hinze
    J. Non-Cryst. Solids 307-310, 16 (2002)
  13. Stochastic models for heterogeneous dynamics: Application to inhomogeneous optical lineshapes
    G. Diezemann, G. Hinze and H. Sillescu
    J. Non-Cryst. Solids 307-310, 57-65 (2002)
  14. Time dependent optical linewidth in fluctuating environments: Stochastic models
    G. Diezemann
    J. Chem. Phys. 116, 1647 (2002)
  15. Dynamics of supercooled liquids and glassy solids
    R. Böhmer, G. Diezemann, G. Hinze and E. Rössler
    Prog. Nucl. Magn. Reson. Spectr. 39, 191-267 (2001)
  16. Comment on Hole-burning experiments within glassy Models with infinite Range interactions
    G. Diezemann and R. Böhmer
    Phys. Rev. Lett. 87, 129602 (2001)
  17. Nonresonant dielectric hole-burning on a titanium modified lead magnesium niobate ceramic
    O. Kircher, G. Diezemann and R. Böhmer
    Phys. Rev. B 64, 054103 (2001)
  18. Response-theory for nonresonant hole burning: Stochastic dynamics
    G. Diezemann
    Europhys. Lett. 53, 604 (2001)

1996 - 2000

  1. Comment on: A comment on dielectric hole burning
    O. Kircher, R.V. Chamberlin, G. Diezemann and R. Böhmer
    J. Chem. Phys. 113, 6449 (2000)
  2. On the nature of slow b-relaxation in supercooled liquids
    U. Mohanty, G. Diezemann and I. Oppenheim
    J. Phys.: Condensed Matter 12, 6431 (2000)
  3. Model calculations for the vibrational anomalies of a disordered Lennard-Jones solid
    W. Schirmacher, G. Diezemann and C. Ganter
    Physica B: Condensed Matter 284-288, 1147-1148 (2000)
  4. On the relationships among special temperatures for supercooled liquids: A configuration space analysis
    U. Mohanty, G. Diezemann and J.T. Fourkas
    J. Chem. Phys. 113, 3719 (2000)
  5. Propagation and localization of vibrational modes in 3-dimensional disordered systems: The binary force constant model
    W. Schirmacher and G. Diezemann
    Ann. Phys. 8, 727 (1999)
  6. Spin-lattice relaxation of deuterated methyl groups: implications of the Pauli principle
    G. Diezemann
    Applied Magn. Res. 17, 345 (1999)
  7. Model calculations for vibrational properties of disordered solids and the boson peak
    W. Schirmacher, G. Diezemann and C. Ganter
    Physica B: Condensed Matter 263-264, 160-162 (1999)
  8. Revisiting angular jump models of molecular reorientations in viscous liquids
    G. Diezemann and H. Sillescu
    J. Chem. Phys. 111, 1126 (1999)
  9. 87Rb-NMR studies of molten and glassy 2Ca(NO3)2 -3RbNO3
    C. Zürn, A. Titze, G. Diezemann and R. Böhmer
    J. Phys. Chem. B 103, 4109 (1999)
  10. Non-exponential primary relaxation in salol
    G. Diezemann and K.A. Nelson
    J. Phys. Chem. B 103, 4089 (1999)
  11. Slow secondary relaxation in a free-energy landscape model for relaxation in glass-forming liquids
    G. Diezemann, U. Mohanty and I. Oppenheim
    Phys. Rev. E 59, 2067 (1999)
  12. Four-time rotational correlation functions
    G. Hinze, G. Diezemann and H. Sillescu
    Europhys. Lett. 44, 565 (1998)
  13. Hysteresis effects and mesoscopic domains: Precursors for the formation of orientational glass states
    M. Winterlich, G. Diezemann, G.Hinze and R.Böhmer
    Europhys. Lett. 44, 50 (1998)
  14. Harmonic vibrational excitations in disordered solids and the Boson peak
    W. Schirmacher, G. Diezemann and C. Ganter
    Phys. Rev. Lett. 81, 136 (1998)
  15. Reorientational dynamics in simple supercooled liquids
    G. Diezemann, R. Böhmer, G. Hinze and H. Sillecu
    J. Non-Cryst. Solids 235-237, 121 (1998)
  16. Nature of the non-exponential primary relaxation in structural glassformers probed by dynamically selective experiments
    R. Böhmer, R.V. Chamberlin, G. Diezemann, B. Geil, A. Heuer, G. Hinze, U. Tracht, R. Richert, B. Schiener, H. Sillescu, H.W. Spiess, S.C. Kuebler and M. Wilhelm
    J. Non-Cryst. Solids 235-237, 1 (1998)
  17. Decay of single and double quantum coherences in deuterated glassy ortho terphenyl
    O. Kircher, G. Diezemann, R. Böhmer, G. Hinze, K.U. Schug, H. Sillescu and H. Zimmermann
    J. Chem. Phys. 108, 8550 (1998)
  18. Rotational correlation functions and apparently enhanced translational diffusion in a free-energy landscape model for the a relaxation in glass-forming liquids
    G. Diezemann, H. Sillescu, G. Hinze and R. Böhmer
    Phys. Rev. E 57, 4398 (1998)
  19. Spatial heterogeneity in glassy polystyrene detected by deuteron NMR
    A. Döß, G. Hinze, G. Diezemann, R. Böhmer and H. Sillescu
    Acta Polym. 49, 56 (1998)
  20. Experimental determination of four-time stimulated echoes in liquids, colloidal suspensions and crystals
    G. Hinze, R. Böhmer, G. Diezemann and H. Sillescu
    J. Magn. Res. 131, 218 (1998)
  21. A nuclear magnetic resonance study of higher-order correlation functions in supercooled ortho-terphenyl
    R. Böhmer, G. Diezemann, G. Hinze and H. Sillescu
    J. Chem. Phys. 108, 890 (1998)
  22. A free-energy landscape model for primary relaxation in glassforming liquids: dynamical heterogeneities from higher order time correlation functions
    G. Diezemann
    J. Chem. Phys. 107, 10112-10120 (1997)
  23. Nonresonant dielectric hole burning spectroscopy of supercooled liquids
    B. Schiener, R.V. Chamberlin, G. Diezemann and R. Böhmer
    J. Chem. Phys. 107, 7746-7761 (1997)
  24. Higher-order time correlation functions from fluctuating energy landscape models: Comparison with reduced 4D-NMR
    G. Diezemann, G. Hinze, R. Böhmer and H.Sillescu
    "Theoretical and experimental approaches to supercooled liquids: Advances and novel applications",
    Eds. J. Fourkas, D. Kivelson, U. Mohanty und K. Nelson
    ACS Books, Washington DC, Kap. 12 (1997)
  25. Far-Off-Resonance Averaging of Dipolar Interactions in Solids
    I. Chang, G. Diezemann, G. Hinze, R. Böhmer and H. Sillescu
    J. Magn. Res. 124, 165 (1997)
  26. Dynamic heterogeneity in supercooled ortho-terphenyl studied by multidimensional deuteron NMR
    R. Böhmer, G. Hinze, G. Diezemann, B. Geil und H. Sillescu
    Europhys. Lett. 36, 55 (1996)
  27. Symmetry species exchange in rotational tunnelling systems
    G. Diezemann und W. Häusler
    Physica B: Condensed Matter 226, 189-193 (1996)
  28. Self-Diffusion Coefficients in Plastic Crystals by Multiple-Pulse NMR in Large Static Field Gradients
    I. Chang, G. Hinze, G. Diezemann, F. Fujara und H. Sillescu
    Phys. Rev. Lett. 76, 2523 (1996)
  29. Deuteron spin diffusion and spin lattice relaxation in amorphous solids
    G. Hinze, G. Diezemann und H. Sillescu
    J. Chem. Phys. 104, 430-433 (1996)

1990 - 1995

  1. Dipolar interactions in deuteron spin systems: II. Transverse relaxation
    G. Diezemann and H. Sillescu
    J. Chem .Phys. 103, 6385 (1995)
  2. Dipolar interactions in deuteron spin systems: I. spin diffusion
    G. Diezemann
    J. Chem. Phys. 103, 6368 (1995)
  3. Symmetry-species conversion in CD3 systems
    G. Diezemann and W. Häusler
    Physica B: Condensed Matter 202, 246-251 (1994)
  4. Symmetry-species conversion in CD3 systems
    G. Diezemann and W. Häusler
    J. Phys.: Condensed Matter 5, 6121 (1993)
  5. High-field spin-lattice relaxation of methyl groups: relation to neutron scattering
    G. Diezemann
    J. Phys.: Condensed Matter 4, 9153 (1992)
  6. Methyl group dynamics in a-crystallized toluene as studied by deuteron spin-lattice relaxation
    D. van der Putten, G. Diezemann, F. Fujara, K. Hartmann and H. Sillescu
    J. Chem. Phys. 96, 1748 (1992)
  7. Low temperature methyl group dynamics of hexamethylbenzene in crystalline and glassy matrices as studied by 2H NMR
    K. Börner, G. Diezemann, E. Rössler and H.M. Vieth
    Chem. Phys. Lett. 181, 563 (1991)
  8. Spin lattice relaxation rates of tunnelling CD3 groups
    G. Diezemann, H. Sillescu and D. van der Putten
    Z. Phys.B Condensed Matter 83, 245-257 (1991)
  9. High field nuclear spin relaxation in liquids and solids
    G. Diezemann and W. Schirmacher
    J. Phys. Condens. Matter 2, 6681 (1990)