Publications by authors named "Tomas Zimmermann"

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Implementation of Nuclear Velocity Perturbation and Magnetic Field Perturbation Theory in CP2K and Their Application to Vibrational Circular Dichroism.
Edward Ditler, Tomáš Zimmermann, Chandan Kumar, Sandra Luber

J Chem Theory Comput· April 2022

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Betulinic Acid Decorated with Polar Groups and Blue Emitting BODIPY Dye: Synthesis, Cytotoxicity, Cell-Cycle Analysis and Anti-HIV Profiling.
David Kodr, Jarmila Stanková, Michaela Rumlová, Petr Džubák, Jiří Řehulka, Tomáš Zimmermann

Biomedicines· August 2021

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Steroid Glycosides Hyrcanoside and Deglucohyrcanoside: On Isolation, Structural Identification, and Anticancer Activity.
Silvie Rimpelová, Tomáš Zimmermann, Pavel B Drašar, Bohumil Dolenský, Jiří Bejček

Foods· January 2021

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Large Scale Conversion of Trilobolide into the Payload of Mipsagargin: 8--(12-Aminododecanoyl)-8--Debutanoylthapsigargin.
Tomáš Zimmermann, Pavel Drašar, Silvie Rimpelová, Søren Brøgger Christensen, Vladimir A Khripach

Biomolecules· December 2020

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Missing Selectivity of Targeted 4β-Phorbol Prodrugs Expected to be Potential Chemotherapeutics.
Ilari Tarvainen, Tomáš Zimmermann, Pia Heinonen, Maria Helena Jäntti, Jari Yli-Kauhaluoma

ACS Med Chem Lett· May 2020

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Semiclassical Approach to Photophysics Beyond Kasha's Rule and Vibronic Spectroscopy Beyond the Condon Approximation. The Case of Azulene.
Antonio Prlj, Tomislav Begušić, Zhan Tong Zhang, George Cameron Fish, Marius Wehrle, Tomáš Zimmermann

J Chem Theory Comput· April 2020

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Stanazolol derived ELISA as a sensitive forensic tool for the detection of multiple 17α-methylated anabolics.
Lukáš Huml, Dominika Havlová, Ondřej Longin, Eliška Staňková, Barbora Holubová, Tomáš Zimmermann

Steroids· March 2020

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Structural modification of trilobolide for upgrading its immunobiological properties and reducing its cytotoxic action.
Juraj Harmatha, Miloš Buděšínský, Michal Jurášek, Tomáš Zimmermann, Pavel Drašar

Fitoterapia· April 2019

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Phorbol Rearrangements.
Tomas Zimmermann, Henrik Franzyk, Søren Brøgger Christensen

J Nat Prod· September 2018

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Preparation of Enzyme-Activated Thapsigargin Prodrugs by Solid-Phase Synthesis.
Tomas Zimmermann, Søren Brøgger Christensen, Henrik Franzyk

Molecules· June 2018

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Nonadiabatic effects in electronic and nuclear dynamics.
Martin P Bircher, Elisa Liberatore, Nicholas J Browning, Sebastian Brickel, Cornelia Hofmann, Tomáš Zimmermann

Struct Dyn· November 2017

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Immunoassay for determination of trilobolide.
Lukáš Huml, Michal Jurášek, Petra Mikšátková, Tomáš Zimmermann, Pavla Tomanová

Steroids· January 2017

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Tunneling Time and Weak Measurement in Strong Field Ionization.
Tomáš Zimmermann, Siddhartha Mishra, Brent R Doran, Daniel F Gordon, Alexandra S Landsman

Phys Rev Lett· June 2016

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

J Chem Phys· October 2014

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Can Satraplatin be hydrated before the reduction process occurs? The DFT computational study.
Ondřej Bradáč, Tomáš Zimmermann, Jaroslav V Burda

J Mol Model· November 2013

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Role of sampling in evaluating classical time autocorrelation functions.
Tomáš Zimmermann, Jiří Vaníček

J Chem Phys· September 2013

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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.
Tomáš Zimmermann, Jiří Vaníček

J Chem Phys· December 2012

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Measuring nonadiabaticity of molecular quantum dynamics with quantum fidelity and with its efficient semiclassical approximation.
Tomáš Zimmermann, Jiří Vaníček

J Chem Phys· March 2012

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Self-assembled molecular rafts at liquid|liquid interfaces for four-electron oxygen reduction.
Astrid J Olaya, Delphine Schaming, Pierre-Francois Brevet, Hirohisa Nagatani, Tomas Zimmermann

J Am Chem Soc· January 2012

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Efficient sampling avoids the exponential wall in classical simulations of fidelity.
Cesare Mollica, Tomáš Zimmermann, Jiří Vaníček

Phys Rev E Stat Nonlin Soft Matter Phys· December 2011

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Activation of the cisplatin and transplatin complexes in solution with constant pH and concentration of chloride anions; quantum chemical study.
Tomáš Zimmermann, Jerzy Leszczynski, Jaroslav V Burda

J Mol Model· September 2011

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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.
Tomáš Zimmermann, Jiří Vaníček

J Mol Model· November 2010

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Communications: Evaluation of the nondiabaticity of quantum molecular dynamics with the dephasing representation of quantum fidelity.
Tomás Zimmermann, Jirí Vanícek

J Chem Phys· June 2010

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Cisplatin interaction with amino acids cysteine and methionine from gas phase to solutions with constant pH.
Tomás Zimmermann, Jaroslav V Burda

Interdiscip Sci· March 2010

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Reactions of cisplatin with cysteine and methionine at constant pH; a computational study.
Tomás Zimmermann, Jaroslav V Burda

Dalton Trans· February 2010

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