Jaroslav V. Burda
Orcid: 0000-0001-9909-8797
According to our database1,
Jaroslav V. Burda
authored at least 10 papers
between 2005 and 2023.
Collaborative distances:
Collaborative distances:
Timeline
Legend:
Book In proceedings Article PhD thesis Dataset OtherLinks
On csauthors.net:
Bibliography
2023
The vertical excitation energies and a lifetime of the two lowest singlet excited states of the conjugated polyenes from C2 to C22: Ab initio, DFT, and semiclassical MNDO-MD simulations.
J. Comput. Chem., March, 2023
2020
QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH.
J. Comput. Chem., 2020
2017
The influence of the metal cations and microhydration on the reaction trajectory of the N3 [LEFT RIGHT ARROW] O2 thymine proton transfer: Quantum mechanical study.
J. Comput. Chem., 2017
2016
Interactions of the "piano-stool" [ruthenium(II)(η<sup>6</sup>-arene)(quinolone)Cl]<sup>+</sup> complexes with water; DFT computational study.
J. Comput. Chem., 2016
2014
Reaction mechanism of Ru(II) piano-stool complexes: Umbrella sampling QM/MM MD study.
J. Comput. Chem., 2014
2012
2009
Interactions of the "piano-stool" [ruthenium(II) (eta<sup>6</sup>-arene)(en)CL]<sup>+</sup> complexes with water and nucleobases; ab initio and DFT study.
J. Comput. Chem., 2009
2008
The trans effect in square-planar platinum(II) complexes - A density functional study.
J. Comput. Chem., 2008
2005
Study of electronic spectra of free-base porphin and Mg-porphin: Comprehensive comparison of variety of ab initio, DFT, and semiempirical methods.
J. Comput. Chem., 2005
Hydration process as an activation of trans- and cisplatin complexes in anticancer treatment. DFT and ab initio computational study of thermodynamic and kinetic parameters.
J. Comput. Chem., 2005