Jaroslav V. Burda

发表

International conference on “Modeling interaction in biomolecules 2011”, in Kutná Hora, September 4th–9th, 2011

Jaroslav V. Burda, Andrzej W. Sokalski, 2013, Journal of Molecular Modeling.

International conference and workshop: Modeling and Design of Molecular Materials (10–15 September 2006, Wrocław, Poland)

Jaroslav V. Burda, W. Andrzej Sokalski, Jerzy Leszczyński, 2007 .

Reaction mechanism of Ru(II) piano‐stool complexes: Umbrella sampling QM/MM MD study

Jaroslav V. Burda, Zden ek Futera, Z. Futera, 2014, J. Comput. Chem..

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

Jaroslav V. Burda, Sebastian Miranda, Soledad Gutiérrez-Oliva, 2017, Journal of Computational Chemistry.

Hydration process as an activation of trans‐ and cisplatin complexes in anticancer treatment. DFT and ab initio computational study of thermodynamic and kinetic parameters

Jerzy Leszczynski, Jaroslav V. Burda, Michal Zeizinger, 2005, J. Comput. Chem..

The international workshop “Modeling & Design of Molecular Materials”, held 16–20 September 2004 in Wrocław

Jaroslav V. Burda, W. Andrzej Sokalski, 2005 .

Interactions of the “piano‐stool” [ruthenium(II) (η6‐arene)(en)CL]+ complexes with water and nucleobases; ab initio and DFT study

Jaroslav V. Burda, Jirí Sponer, Zdenek Futera, 2009, J. Comput. Chem..

Interactions of the “piano‐stool” [ruthenium(II)(η6‐arene)(quinolone)Cl]+ complexes with water; DFT computational study

Jaroslav V. Burda, Zdenek Chval, Tereza Zábojníková, 2016, J. Comput. Chem..

Binding of piano‐stool Ru(II) complexes to DNA; QM/MM study

James A. Platts, Jaroslav V. Burda, Zdenek Futera, 2012, J. Comput. Chem..

The trans effect in square‐planar platinum(II) complexes—A density functional study

Jaroslav V. Burda, Zdenek Chval, Miroslav Sip, 2008, J. Comput. Chem..

Study of electronic spectra of free‐base porphin and Mg‐porphin: Comprehensive comparison of variety of ab initio, DFT, and semiempirical methods

Jerzy Leszczynski, Jaroslav V. Burda, Josef Seda, 2005, J. Comput. Chem..

Density functional study of structural and electronic properties of bimetallic silver–gold clusters: Comparison with pure gold and silver clusters

Jaroslav V. Burda, Piercarlo Fantucci, Maofa Ge, 2002 .

Hydration of cis- and trans-platin: A pseudopotential treatment in the frame of a G3-type theory for platinum complexes

Jerzy Leszczynski, Jaroslav V. Burda, Michal Zeizinger, 2000 .

The influence of square planar platinum complexes on DNA base pairing. An ab initio DFT study

Jerzy Leszczynski, Jaroslav V. Burda, J. Šponer, 2001 .

The Influence of N7 Guanine Modifications on the Strength of Watson−Crick Base Pairing and Guanine N1 Acidity: Comparison of Gas-Phase and Condensed-Phase Trends

Jerzy Leszczynski, Jaroslav V. Burda, Jiří Šponer, 2003 .

Interaction of the Adenine−Thymine Watson−Crick and Adenine−Adenine Reverse-Hoogsteen DNA Base Pairs with Hydrated Group IIa (Mg2+, Ca2+, Sr2+, Ba2+) and IIb (Zn2+, Cd2+, Hg2+) Metal Cations: Absence of the Base Pair Stabilization by Metal-Induced Polarization Effects

Pavel Hobza, Jaroslav V. Burda, J. Šponer, 1999 .

Theoretical model of copper Cu(I)/Cu(II) hydration. DFT and ab initio quantum chemical study

Jaroslav V. Burda, Matěj Pavelka, Milan Simanek, 2004 .