- Utilization of the quantum-chemical calculations for the study of the protonisation of phenylguanidine and 3-pyridylguanidine2003 | Faculty of Pharmacy in Hradec Králové
- Can the pH value of water solutions be estimated by quantum chemical calculations of small water clusters?(No. 194518)2006 | Faculty of Mathematics and Physics
- How strong can the bend be on a DNA helix from cisplatin? DFT and MP2 quantum chemical calculations of cisplatin-bridged DNA purine bases2003 | Publication without faculty affiliation
- Molecular structure and quantum chemical calculations 4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-thione2019 | Faculty of Science
- Dimerization of Acetic Acid in the Gas Phase-NMR Experiments and Quantum-Chemical Calculations2020 | Faculty of Mathematics and Physics
- Quantum-chemical calculations of model systems of interest in fullerene-based superconductivity2003 | Faculty of Science
- Quantum-chemical calculations of model systems of interest in fullerene-based superconductivity2003 | Faculty of Mathematics and Physics, First Faculty of Medicine
- Quantum-Chemical Calculations of the Metallofullerene Yields in the X@ C-74, L@C-74, and Z@C-82 Series2015 | Faculty of Science
- The Influence of a sugar-phosphate backbone on the cisplatin-bridged BpB´ models of DNA purine bases. Quantum chemical calculations of Pt(II) bonding characteristics2004 | Faculty of Mathematics and Physics
- Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins2019 | Faculty of Pharmacy in Hradec Králové
- The (XH)2 Species (X=F through At) in the Groups of the Periodic System: MP2 and CCSD(T) Ab initio Quantum Chemical Calculations1998 | Faculty of Mathematics and Physics
- Tautomerism of azo dyes in the solid state studied by N-15, N-14, C-13 and H-1 NMR spectroscopy, X-ray diffraction and quantum-chemical calculations2020 | Faculty of Science, Central Library of Charles University
- The structure of metallo-DNA with consecutive thymine–HgII–thymine base pairs explains positive entropy for the metallo base pair formation2013 | Faculty of Mathematics and Physics
- Isoelectronic dimers ((XH3) (2), (YH2) (2), (YH2), (2), (ZH) (2), and (Rg) (2) in the groups of the periodic system - Ab- initio Quantum-chemical calculations.1998 | Faculty of Mathematics and Physics
- C60(OH)32 fullerenols: Calculated temperature-sensitive isomeric interplay2022 | Faculty of Science
- Spectroscopic and Computational Evidence of Intramolecular Au(I)DOT OPERATOR DOT OPERATOR DOT OPERATOR H+-N Hydrogen Bonding2019 | Faculty of Science, Central Library of Charles University
- Amino Acid Interaction (INTAA) web server2017 | Faculty of Science, Central Library of Charles University
- Y@C82 metallofullerene: calculated isomeric composition2023 | Faculty of Science
- Pr@C82 Metallofullerene: Calculated Isomeric Populations2023 | Faculty of Science
- Determination of the configuration in six-membered saturated heterocycles (N, P, S, Se) and their oxidation products using experimental and calculated NMR chemical shifts2014 | Faculty of Science, Central Library of Charles University
- Stereocontrolled synthesis of trans-eudesmanolides from (+)-hanphilline2014 | Faculty of Science
- Effect of Iodination on the Photophysics of the Laser Borane anti-B18H22: Generation of Efficient Photosensitizers of Oxygen2019 | Faculty of Science, Central Library of Charles University
- Binding of piano-stool Ru(II) complexes to DNA; QM/MM study2012 | Faculty of Mathematics and Physics
- Nonplanar Tertiary Amides in Rigid Chiral Tricyclic Dilactams. Peptide Group Distortions and Vibrational Optical Activity2013 | Faculty of Mathematics and Physics
- The effect of the zeolite pore size on the Lewis acid strength of extra-framework cations2016 | Faculty of Science, Central Library of Charles University
- Reactions of cisplatin and glycine in solution with constant pH: a computational study2012 | Faculty of Mathematics and Physics
- Comparison of hydration reactions for "piano-stool" RAPTA-B and [Ru(eta(6) - arene)(en)Cl](+) complexes: Density functional theory computational study2011 | Faculty of Mathematics and Physics
- Study on electronic properties, thermodynamic and kinetic parameters of the selected platinum(II) derivatives interacting with guanine2017 | Faculty of Mathematics and Physics
- Mechanism of the cis-[Pt(1R,2R-DACH)(H2O)(2)](2+) Intrastrand Binding to the Double-Stranded (pGpG)center dot(CpC) Dinucleotide in Aqueous Solution: A Computational DFT Study2013 | Faculty of Mathematics and Physics
- Sc2O@C78: Calculations of the yield ratio for two observed isomers2017 | Faculty of Science