Jaroslav V Burda

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 15

Top Topics

Density Functional Theory

Molecular Dynamics

Transition Metal

Top Venues

The journal of physical chemistry. B

Journal of computational chemistry

Inorganic chemistry

Journal of molecular modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Adam Vavrečka, Kateřina Fatková, Jaroslav V Burda
Quantum mechanical study of transition metal hydrides: Comparison of determined molecular properties with experimental data. Journal of computational chemistry 45 (20) (2024)
Filip Šebesta, Žofie Sovová, Jaroslav V Burda
Determination of Amino Acids' p K a : Importance of Cavity Scaling within Implicit Solvation Models and Choice of DFT Functionals. The journal of physical chemistry. B 128 (7) (2024)
Adam Vavrečka, Kateřina Fatková, Jaroslav V Burda
Quantum mechanical study of transition metal hydrides: Comparison of determined molecular properties with experimental data. Journal of computational chemistry (2024)
Filip Šebesta, Žofie Sovová, Jaroslav V Burda
Determination of Amino Acids' p K a : Importance of Cavity Scaling within Implicit Solvation Models and Choice of DFT Functionals. The journal of physical chemistry. B 128 (7) (2024)
Filip Šebesta, Žofie Sovová, Jaroslav V Burda
Determination of Amino Acids' p K a : Importance of Cavity Scaling within Implicit Solvation Models and Choice of DFT Functionals. The journal of physical chemistry. B (2024)
Filip Šebesta, Žofie Sovová, Jaroslav V Burda
Determination of Amino Acids' p K a : Importance of Cavity Scaling within Implicit Solvation Models and Choice of DFT Functionals. The journal of physical chemistry. B 128 (7) (2024)
Ondřej Tichý, Marek Pederzoli, Jiří Pittner, Jaroslav V Burda
Vertical Excitation Energies and Lifetimes of the Two Lowest Singlet Excited States of Cytosine, 5-Aza-cytosine, and the Triazine Family: Quantum Mechanics-Molecular Mechanics Studies. Journal of chemical theory and computation (2023)
Kateřina 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. Journal of computational chemistry (2022)
Filip Šebesta, Jakub Šebera, 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. Journal of computational chemistry 41 (16) (2020)
Zdeněk Chval, Olga Dvořáčková, Daniela Chvalová, Jaroslav V Burda
Square-Planar Pt(II) and Ir(I) Complexes as the Lewis Bases: Donor-Acceptor Adducts with Group 13 Trihalides and Trihydrides. Inorganic chemistry 58 (6) (2019)
Alexander Kastner, Isabella Poetsch, Josef Mayr, Jaroslav V Burda, Alexander Roller, Petra Heffeter, Bernhard K Keppler, Christian R Kowol
A Dogma in Doubt: Hydrolysis of Equatorial Ligands of PtIV Complexes under Physiological Conditions. Angewandte Chemie (International ed. in English) 58 (22) (2019)
Zuzana Sochorová Vokáčová, Iztok Turel, Jaroslav V Burda
Exploration of selected electronic characteristics of half-sandwich organoruthenium(II) β-diketonate complexes. Journal of molecular modeling 24 (4) (2018)
Filip Šebesta, Katarína Baxová, Jaroslav V Burda
Redox Potentials for Tetraplatin, Satraplatin, Its Derivatives, and Ascorbic Acid: A Computational Study. Inorganic chemistry 57 (3) (2018)
Filip Šebesta, Jaroslav V Burda
Side Reactions with an Equilibrium Constraint: Detailed Mechanism of the Substitution Reaction of Tetraplatin with dGMP as a Starting Step of the Platinum(IV) Reduction Process. The journal of physical chemistry. B 121 (17) (2017)
Filip Šebesta, Mateusz Z Brela, Silvia Diaz, 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 ↔ O2 thymine proton transfer: Quantum mechanical study. Journal of computational chemistry 38 (31) (2017)