about
One metal and forty nitrogens. Ab initio predictions for possible new high-energy pentazolides.Properties of the Only Thorium Fullerene, Th@C84, Uncovered.Formation and structure of the potassium complex of valinomycin in solution studied by Raman optical activity spectroscopy.High-Frequency (13)C and (29)Si NMR Chemical Shifts in Diamagnetic Low-Valence Compounds of Tl(I) and Pb(II): Decisive Role of Relativistic Effects.Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: chemical shifts and nuclear quadrupole couplings in HXeCCH.Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches.Characteristic spin-orbit induced 1H(CH2) chemical shifts upon deprotonation of group 9 polyamine aqua and alcohol complexes.Origin of the conformational modulation of the 13C NMR chemical shift of methoxy groups in aromatic natural compounds.Fullerene C70 characterization by 13C NMR and the importance of the solvent and dynamics in spectral simulations.Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.Communication: fullerene resolution by the magnetic circular dichroism.Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines.129Xe NMR chemical shift in Xe@C60 calculated at experimental conditions: essential role of the relativity, dynamics, and explicit solvent.Dynamics and magnetic resonance properties of Sc3C2@C80 and its monoanion.Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling.How Does a Container Affect Acidity of its Content? Charge-Depletion Bonding Inside Fullerenes.Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained.High-Frequency 1H NMR Chemical Shifts of SnII and PbII Hydrides Induced by Relativistic Effects: Quest for PbII Hydrides.Could uranium(XII)hexoxide, UO6 (Oh) exist?RNA Packaging Motor: From Structure to Quantum Mechanical Modelling and Sequential-Stochastic MechanismBuckyball Difluoride F @C -A Single-Molecule CrystalUnderstanding the Electronic Factors Responsible for Ligand Spin–Orbit NMR Shielding in Transition-Metal ComplexesUnwilling U–U bonding in U2@C80: cage-driven metal–metal bonds in di-uranium fullerenesMechanism of Spin–Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPRRatcheting rotation or speedy spinning: EPR and dynamics of Sc3C2@C80Xenon NMR of liquid crystals confined to cylindrical nanocavities: a simulation studyNuclear spin circular dichroism in fullerenes: a computational studyExploring new 129Xe chemical shift ranges in HXeY compounds: hydrogen more relativistic than xenonToward Calculations of the129Xe Chemical Shift in Xe@C60at Experimental Conditions: Relativity, Correlation, and DynamicsA London-type formula for the dispersion interactions of endohedral A@B systemsNuclear magnetic resonance parameters of atomic xenon dissolved in Gay-Berne model liquid crystalDensity Functional Calculations of3He Chemical Shift in Endohedral Helium Fullerenes: Neutral, Anionic, and Di-Helium SpeciesH NMR is not a proof of hydrogen bonds in transition metal complexesSpectroscopic and Computational Evidence of Intramolecular Au ⋅⋅⋅H -N Hydrogen BondingUnderstanding structure and bonding in early actinide 6d(0)5f0 MX6q (M = Th-Np; X = H, F) complexes in comparison with their transition metal 5d0 analogues.HgH4 and HgH6: further candidates for high-valent mercury compoundsLinear HThThH: a candidate for a Th-Th triple bondCan weakly coordinating anions stabilize mercury in its oxidation state +IV?Disulfide chromophore and its optical activityOn the role of mercury in the non-covalent stabilisation of consecutive U-Hg(II)-U metal-mediated nucleic acid base pairs: metallophilic attraction enters the world of nucleic acids
P50
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P50
description
chemik
@cs
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Michal Straka
@ast
Michal Straka
@cs
Michal Straka
@en
Michal Straka
@es
Michal Straka
@nl
Michal Straka
@sl
type
label
Michal Straka
@ast
Michal Straka
@cs
Michal Straka
@en
Michal Straka
@es
Michal Straka
@nl
Michal Straka
@sl
prefLabel
Michal Straka
@ast
Michal Straka
@cs
Michal Straka
@en
Michal Straka
@es
Michal Straka
@nl
Michal Straka
@sl
P1153
7004567214
P31
P496
0000-0002-7857-4990