Michal Straka
Michal Straka
Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, University of Helsinki
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
1802000
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
1182001
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
1002001
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
782003
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
622004
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
582008
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
552015
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
502005
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
492010
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
492005
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
491999
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
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
472015
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
432014
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
422003
Can Weakly Coordinating Anions Stabilize Mercury in Its Oxidation State +IV?
S Riedel, M Straka, M Kaupp
Chemistry–A European Journal 11 (9), 2743-2755, 2005
412005
Formation of a thymine-Hg (II)-thymine metal-mediated DNA base pair: proposal and theoretical calculation of the reaction pathway
J Sˇebera, J Burda, M Straka, A Ono, C Kojima, Y Tanaka, V Sychrovsky
Chemistry 19, 9884-9894, 2013
382013
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
382007
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
382007
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
352017
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