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Michal Straka
Michal Straka
Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences
Verified email at uochb.cas.cz
Title
Cited by
Cited by
Year
Ab initio studies of the dimers (HgH 2) 2 and (HgMe 2) 2. Metallophilic attraction and the van der Waals radii of mercury
P Pyykkö, M Straka
Physical Chemistry Chemical Physics 2 (11), 2489-2493, 2000
1922000
Magnetic-Shielding Calculations on Al42-and Analogues. A New Family of Aromatic Molecules?
J Jusélius, M Straka, D Sundholm
The Journal of Physical Chemistry A 105 (43), 9939-9944, 2001
1252001
Ab initio study of bonding trends for f0 actinide oxyfluoride species
M Straka, KG Dyall, P Pyykkö
Theoretical Chemistry Accounts 106 (6), 393-403, 2001
1012001
Why are hexavalent uranium cyanides rare while U–F and U–O bonds are common and short?
M Straka, M Patzschke, P Pyykkö
Theoretical Chemistry Accounts 109 (6), 332-340, 2003
792003
Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches
J Vícha, J Novotný, M Straka, M Repisky, K Ruud, S Komorovsky, R Marek
Physical Chemistry Chemical Physics 17 (38), 24944-24955, 2015
712015
Toward Calculations of the 129Xe Chemical Shift in Xe@C60 at Experimental Conditions:  Relativity, Correlation, and Dynamics
M Straka, P Lantto, J Vaara
The Journal of Physical Chemistry A 112 (12), 2658-2668, 2008
652008
Validation of density functional methods for computing structures and energies of mercury (IV) complexes
S Riedel, M Straka, M Kaupp
Physical Chemistry Chemical Physics 6 (6), 1122-1127, 2004
652004
Formation and structure of the potassium complex of valinomycin in solution studied by Raman optical activity spectroscopy
S Yamamoto, M Straka, H Watarai, P Bouř
Physical Chemistry Chemical Physics 12 (36), 11021-11032, 2010
592010
Mechanism of spin–orbit effects on the ligand NMR chemical shift in transition-metal complexes: Linking NMR to EPR
J Vícha, M Straka, ML Munzarová, R Marek
Journal of chemical theory and computation 10 (4), 1489-1499, 2014
582014
Understanding the electronic factors responsible for ligand spin–orbit NMR shielding in transition-metal complexes
J Vícha, C Foroutan-Nejad, T Pawlak, ML Munzarová, M Straka, R Marek
Journal of Chemical Theory and Computation 11 (4), 1509-1517, 2015
562015
Understanding Structure and Bonding in Early Actinide 6d05f0 MX6 q (M= Th− Np; X= H, F) Complexes in Comparison with Their Transition Metal 5d0 Analogues
M Straka, P Hrobárik, M Kaupp
Journal of the American Chemical Society 127 (8), 2591-2599, 2005
542005
Calculation of 19F NMR chemical shifts in uranium complexes using density functional theory and pseudopotentials
M Straka, M Kaupp
Chemical physics 311 (1-2), 45-56, 2005
532005
Relativistic heavy-neighbor-atom effects on nmr shifts: concepts and trends across the periodic table
J Vı́cha, J Novotny, S Komorovsky, M Straka, M Kaupp, R Marek
Chemical Reviews 120 (15), 7065-7103, 2020
512020
Calculations on indium and thallium cyclopentadienyls. Metal–metal interactions and possible new species
P Pyykkö, M Straka, T Tamm
Physical Chemistry Chemical Physics 1 (15), 3441-3444, 1999
501999
Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects
S Standara, K Maliňáková, R Marek, J Marek, M Hocek, J Vaara, M Straka
Physical Chemistry Chemical Physics 12 (19), 5126-5139, 2010
482010
One metal and forty nitrogens. Ab initio predictions for possible new high-energy pentazolides
M Straka, P Pyykkö
Inorganic chemistry 42 (25), 8241-8249, 2003
482003
Linking the character of the metal–ligand bond to the ligand NMR shielding in transition-metal complexes: NMR contributions from spin–orbit coupling
J Novotný, J Vícha, PL Bora, M Repisky, M Straka, S Komorovsky, ...
Journal of Chemical Theory and Computation 13 (8), 3586-3601, 2017
452017
A London-type formula for the dispersion interactions of endohedral A@ B systems
P Pyykkö, C Wang, M Straka, J Vaara
Physical Chemistry Chemical Physics 9 (23), 2954-2958, 2007
442007
Formation of a Thymine‐HgII‐Thymine Metal‐Mediated DNA Base Pair: Proposal and Theoretical Calculation of the Reaction Pathway
J Šebera, J Burda, M Straka, A Ono, C Kojima, Y Tanaka, V Sychrovský
Chemistry–A European Journal 19 (30), 9884-9894, 2013
432013
Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: Chemical shifts and nuclear quadrupole couplings in HXeCCH
M Straka, P Lantto, M Räsänen, J Vaara
The Journal of chemical physics 127 (23), 234314, 2007
422007
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