| Year |
Citation |
Score |
| 2020 |
Prlj A, Begusic T, Zhang ZT, Fish GC, Wehrle M, Zimmermann T, Choi S, Roulet J, Moser JE, Vanicek J. Semiclassical Approach to Photophysics Beyond Kasha's Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene. Journal of Chemical Theory and Computation. PMID 32119547 DOI: 10.1021/Acs.Jctc.0C00079 |
0.329 |
|
| 2018 |
Vos J, Cattaneo L, Patchkovskii S, Zimmermann T, Cirelli C, Lucchini M, Kheifets A, Landsman AS, Keller U. Orientation-dependent stereo Wigner time delay and electron localization in a small molecule. Science (New York, N.Y.). 360: 1326-1330. PMID 29930132 DOI: 10.1126/Science.Aao4731 |
0.345 |
|
| 2017 |
Bircher MP, Liberatore E, Browning NJ, Brickel S, Hofmann C, Patoz A, Unke OT, Zimmermann T, Chergui M, Hamm P, Keller U, Meuwly M, Woerner HJ, Vaníček J, Rothlisberger U. Nonadiabatic effects in electronic and nuclear dynamics. Structural Dynamics (Melville, N.Y.). 4: 061510. PMID 29376108 DOI: 10.1063/1.4996816 |
0.316 |
|
| 2014 |
Zimmermann T, Vaní?ek J. Efficient on-the-fly ab initio semiclassical method for computing time-resolved nonadiabatic electronic spectra with surface hopping or Ehrenfest dynamics. The Journal of Chemical Physics. 141: 134102. PMID 25296779 DOI: 10.1063/1.4896735 |
0.309 |
|
| 2013 |
Bradáč O, Zimmermann T, Burda JV. Can Satraplatin be hydrated before the reduction process occurs? The DFT computational study. Journal of Molecular Modeling. 19: 4669-80. PMID 22643969 DOI: 10.1007/S00894-012-1442-Z |
0.652 |
|
| 2011 |
Zimmermann T, Leszczynski J, Burda JV. Activation of the cisplatin and transplatin complexes in solution with constant pH and concentration of chloride anions; quantum chemical study. Journal of Molecular Modeling. 17: 2385-93. PMID 21523556 DOI: 10.1007/S00894-011-1031-6 |
0.641 |
|
| 2010 |
Zimmermann T, Burda JV. Cisplatin interaction with amino acids cysteine and methionine from gas phase to solutions with constant pH. Interdisciplinary Sciences, Computational Life Sciences. 2: 98-114. PMID 20640800 DOI: 10.1007/S12539-010-0094-X |
0.675 |
|
| 2010 |
Zimmermann T, Vanícek J. Communications: Evaluation of the nondiabaticity of quantum molecular dynamics with the dephasing representation of quantum fidelity. The Journal of Chemical Physics. 132: 241101. PMID 20590170 DOI: 10.1063/1.3451266 |
0.311 |
|
| 2010 |
Zimmermann T, Vaní?ek J. 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. Journal of Molecular Modeling. 16: 1779-87. PMID 20432050 DOI: 10.1007/S00894-010-0711-Y |
0.347 |
|
| 2010 |
Zimmermann T, Burda JV. Reactions of cisplatin with cysteine and methionine at constant pH; a computational study. Dalton Transactions (Cambridge, England : 2003). 39: 1295-301. PMID 20104356 DOI: 10.1039/B913803J |
0.7 |
|
| 2010 |
Zimmermann T, Ruppen J, Li B, Vaníček J. Efficient evaluation of the accuracy of molecular quantum dynamics on an approximate analytical or interpolated ab initio potential energy surface International Journal of Quantum Chemistry. 110: 2426-2435. DOI: 10.1002/Qua.22730 |
0.317 |
|
| 2009 |
Zimmermann T, Burda JV. Charge-scaled cavities in polarizable continuum model: determination of acid dissociation constants for platinum-amino acid complexes. The Journal of Chemical Physics. 131: 135101. PMID 19814573 DOI: 10.1063/1.3236842 |
0.684 |
|
| 2009 |
Zimmermann T, Vanícek J. Path integral evaluation of equilibrium isotope effects. The Journal of Chemical Physics. 131: 024111. PMID 19603974 DOI: 10.1063/1.3167353 |
0.392 |
|
| 2009 |
Zimmermann T, Chval Z, Burda JV. Cisplatin interaction with cysteine and methionine in aqueous solution: computational DFT/PCM study. The Journal of Physical Chemistry. B. 113: 3139-50. PMID 19227999 DOI: 10.1021/Jp807645X |
0.692 |
|
| 2008 |
Bradác O, Zimmermann T, Burda JV. Comparison of the electronic properties, and thermodynamic and kinetic parameters of the aquation of selected platinum(II) derivatives with their anticancer IC50 indexes. Journal of Molecular Modeling. 14: 705-16. PMID 18322710 DOI: 10.1007/S00894-008-0285-0 |
0.641 |
|
| 2005 |
Zimmermann T, Zeizinger M, Burda JV. Cisplatin interaction with cysteine and methionine, a theoretical DFT study. Journal of Inorganic Biochemistry. 99: 2184-96. PMID 16183131 DOI: 10.1016/J.Jinorgbio.2005.07.021 |
0.598 |
|
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