Jaroslav V. Burda

Publication Activity (10 Years)

Years Active: 2005-2024
Publications (10 Years): 5

Top Topics

Individual Differences

Regression Analysis

Experimental Data

Top Venues

J. Comput. Chem.

Publications

Adam Vavrecka, Katerina Fatková, Jaroslav V. Burda
Quantum mechanical study of transition metal hydrides: Comparison of determined molecular properties with experimental data. J. Comput. Chem. 45 (20) (2024)
Katerina Fatková, Radim Cajzl, Jaroslav V. Burda
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. 44 (6) (2023)
Filip Sebesta, Jakub Sebera, Vladimír Sychrovský, Yoshiyuki Tanaka, Jaroslav V. Burda
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. 41 (16) (2020)
Filip Sebesta, Mateusz Z. Brela, Silvia Díaz, Sebastian Miranda, Jane S. Murray, Soledad Gutiérrez-Oliva, Alejandro Toro-Labbé, Artur Michalak, Jaroslav V. Burda
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. 38 (31) (2017)
Tereza Zábojníková, Radim Cajzl, Jakob Kljun, Zdenek Chval, Iztok Turel, Jaroslav V. Burda
complexes with water; DFT computational study. J. Comput. Chem. 37 (19) (2016)
Zdenek Futera, Jaroslav V. Burda
Reaction mechanism of Ru(II) piano-stool complexes: Umbrella sampling QM/MM MD study. J. Comput. Chem. 35 (19) (2014)
Zdenek Futera, James A. Platts, Jaroslav V. Burda
Binding of piano-stool Ru(II) complexes to DNA; QM/MM study. J. Comput. Chem. 33 (26) (2012)
Zdenek Futera, Julia Klenko, Judit E. Sponer, Jirí Sponer, Jaroslav V. Burda
complexes with water and nucleobases; ab initio and DFT study. J. Comput. Chem. 30 (12) (2009)
Zdenek Chval, Miroslav Sip, Jaroslav V. Burda
The trans effect in square-planar platinum(II) complexes - A density functional study. J. Comput. Chem. 29 (14) (2008)
Jaroslav V. Burda, Michal Zeizinger, Jerzy Leszczynski
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. 26 (9) (2005)
Josef Seda, Jaroslav V. Burda, Jerzy Leszczynski
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. 26 (3) (2005)