T. Zimmermann

发表

Communications: Evaluation of the nondiabaticity of quantum molecular dynamics with the dephasing representation of quantum fidelity.

J. Vaníček, T. Zimmermann, 2010, The Journal of chemical physics.

Nonadiabatic effects in electronic and nuclear dynamics

Oliver T. Unke, P. Hamm, U. Rothlisberger, 2017, Structural dynamics.

Cisplatin interaction with amino acids cysteine and methionine from gas phase to solutions with constant pH

T. Zimmermann, J. Burda, 2010, Interdisciplinary Sciences: Computational Life Sciences.

Semiclassical Approach to Photophysics Beyond Kasha's Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene.

J. Moser, J. Vaníček, T. Zimmermann, 2020, Journal of chemical theory and computation.

Orientation-dependent stereo Wigner time delay and electron localization in a small molecule

U. Keller, A. Landsman, S. Patchkovskii, 2018, Science.

Can Satraplatin be hydrated before the reduction process occurs? The DFT computational study

T. Zimmermann, O. Bradáč, J. Burda, 2013, Journal of Molecular Modeling.

Activation of the cisplatin and transplatin complexes in solution with constant pH and concentration of chloride anions; quantum chemical study

J. Leszczynski, T. Zimmermann, J. Burda, 2011, Journal of molecular modeling.

Comparison of the electronic properties, and thermodynamic and kinetic parameters of the aquation of selected platinum(II) derivatives with their anticancer IC50 indexes

T. Zimmermann, O. Bradáč, J. Burda, 2008, Journal of molecular modeling.

Path integral evaluation of equilibrium isotope effects.

J. Vaníček, T. Zimmermann, 2009, The Journal of chemical physics.

Evaluation of the importance of spin-orbit couplings in the nonadiabatic quantum dynamics with quantum fidelity and with its efficient "on-the-fly" ab initio semiclassical approximation.

J. Vaníček, T. Zimmermann, 2012, The Journal of chemical physics.

Path integral evaluation of the equilibrium isotope effect in [1,5] sigmatropic hydrogen shift reactions

J. Vaníček, T. Zimmermann, 2009 .

Implementation of Nuclear Velocity Perturbation and Magnetic Field Perturbation Theory in CP2K and Their Application to Vibrational Circular Dichroism.

S. Luber, T. Zimmermann, Chandan Kumar, 2022, Journal of chemical theory and computation.

Measuring nonadiabaticity of molecular quantum dynamics with quantum fidelity and with its efficient semiclassical approximation.

J. Vaníček, T. Zimmermann, 2011, The Journal of chemical physics.

Cisplatin interaction with cysteine and methionine, a theoretical DFT study.

Jaroslav V Burda, Michal Zeizinger, T. Zimmermann, 2005, Journal of inorganic biochemistry.

Self-assembled molecular rafts at liquid|liquid interfaces for four-electron oxygen reduction.

H. Girault, J. Vaníček, T. Zimmermann, 2012, Journal of the American Chemical Society.

Tunneling Time and Weak Measurement in Strong Field Ionization.

Siddhartha Mishra, Alexandra S Landsman, D. Gordon, 2016, Physical review letters.

Interpreting electron-momentum distributions and nonadiabaticity in strong-field ionization

Ursula Keller, A. Scrinzi, T. Zimmermann, 2014 .

Efficient on-the-fly ab initio semiclassical method for computing time-resolved nonadiabatic electronic spectra with surface hopping or Ehrenfest dynamics.

J. Vaníček, T. Zimmermann, 2014, The Journal of chemical physics.

Efficient evaluation of the accuracy of molecular quantum dynamics on an approximate analytical or interpolated ab initio potential energy surface

J. Vaníček, T. Zimmermann, Baiqing Li, 2010 .

Role of sampling in evaluating classical time autocorrelation functions.

J. Vaníček, T. Zimmermann, 2012, The Journal of chemical physics.

Probing molecular environment through photoemission delays

A. Landsman, M. Kling, G. Hartmann, 2020, Nature Physics.

Three applications of path integrals: equilibrium and kinetic isotope effects, and the temperature dependence of the rate constant of the [1,5] sigmatropic hydrogen shift in (Z)-1,3-pentadiene

J. Vaníček, T. Zimmermann, 2010, Journal of molecular modeling.

Efficient sampling avoids the exponential wall in classical simulations of fidelity.

J. Vaníček, T. Zimmermann, C. Mollica, 2011, Physical review. E, Statistical, nonlinear, and soft matter physics.

A new grand-canonical potential for the thermodynamic description of the reactions in solutions with constant pH

T. Zimmermann, J. Burda, Filip Šebesta, 2021 .

Cisplatin interaction with cysteine and methionine in aqueous solution: computational DFT/PCM study.

T. Zimmermann, J. Burda, Z. Chval, 2009, Journal of Physical Chemistry B.

Reactions of cisplatin with cysteine and methionine at constant pH; a computational study.

T. Zimmermann, J. Burda, 2010, Dalton transactions.

Charge-scaled cavities in polarizable continuum model: determination of acid dissociation constants for platinum-amino acid complexes.

T. Zimmermann, J. Burda, 2009, The Journal of chemical physics.