Lista de obras - Michal Straka - Dominio Público Uruguay

129Xe NMR chemical shift in Xe@C60 calculated at experimental conditions: essential role of the relativity, dynamics, and explicit solvent.

artículo científico publicado en 2013

A London-type formula for the dispersion interactions of endohedral A@B systems

article

Buckyball Difluoride F @C -A Single-Molecule Crystal

artículo científico publicado en 2018

Can weakly coordinating anions stabilize mercury in its oxidation state +IV?

scientific article published on 01 April 2005

Characteristic spin-orbit induced 1H(CH2) chemical shifts upon deprotonation of group 9 polyamine aqua and alcohol complexes

artículo científico publicado en 2009

Communication: fullerene resolution by the magnetic circular dichroism.

artículo científico publicado en 2013

Correction to From π Bonds without σ Bonds to the Longest Metal-Metal Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes

artículo científico publicado en 2020

Correlating the 31P NMR chemical shielding tensor and the 2J(P,C) spin-spin coupling constants with torsion angles ζ and α in the backbone of nucleic acids

artículo científico publicado en 2012

Could uranium(XII)hexoxide, UO6 (Oh) exist?

scholarly article by Pekka Pyykkö et al published October 2000 in Chemical Physics Letters

Density Functional Calculations of3He Chemical Shift in Endohedral Helium Fullerenes: Neutral, Anionic, and Di-Helium Species

artículo científico publicado en 2006

Dipolar molecules inside C70: an electric field-driven room-temperature single-molecule switch

artículo científico publicado en 2016

Disulfide chromophore and its optical activity

artículo científico publicado en 2010

Does resveratrol retain its antioxidative properties in wine? Redox behaviour of resveratrol in the presence of Cu(II) and tebuconazole

scientific article published on 25 April 2018

Dynamics and magnetic resonance properties of Sc3C2@C80 and its monoanion.

artículo científico publicado en 2008

Experimental and Theoretical Evidence of Spin-Orbit Heavy Atom on the Light Atom 1 H NMR Chemical Shifts Induced through H⋅⋅⋅I- Hydrogen Bond

artículo científico publicado en 2020

Exploring new 129Xe chemical shift ranges in HXeY compounds: hydrogen more relativistic than xenon

scientific article published on 10 July 2012

Formation and structure of the potassium complex of valinomycin in solution studied by Raman optical activity spectroscopy.

artículo científico publicado en 2010

Formulations of the closed-shell interactions in endohedral systems

artículo científico publicado en 2010

From π Bonds without σ Bonds to the Longest Metal-Metal Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes

artículo científico publicado en 2020

Fullerene C70 characterization by 13C NMR and the importance of the solvent and dynamics in spectral simulations.

artículo científico publicado en 2013

H NMR is not a proof of hydrogen bonds in transition metal complexes

artículo científico publicado en 2019

HgH4 and HgH6: further candidates for high-valent mercury compounds

artículo científico publicado en 2002

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

artículo científico publicado en 2016

High-Frequency 1H NMR Chemical Shifts of SnII and PbII Hydrides Induced by Relativistic Effects: Quest for PbII Hydrides.

artículo científico publicado en 2016

How Does a Container Affect Acidity of its Content? Charge-Depletion Bonding Inside Fullerenes.

artículo científico publicado en 2018

Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines

artículo científico publicado en 2011

Linear HThThH: a candidate for a Th-Th triple bond

artículo científico publicado en 2005

Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling.

artículo científico publicado en 2017

Mechanism of Spin–Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPR

article

Nuclear magnetic resonance parameters of atomic xenon dissolved in Gay-Berne model liquid crystal

artículo científico publicado en 2007

Nuclear spin circular dichroism in fullerenes: a computational study

artículo científico publicado en 2014

On 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

artículo científico publicado en 2010

One metal and forty nitrogens. Ab initio predictions for possible new high-energy pentazolides.

artículo científico publicado en 2003

Origin of the conformational modulation of the 13C NMR chemical shift of methoxy groups in aromatic natural compounds.

artículo científico publicado en 2013

Phosphate linkers with traceable cyclic intermediates for self-immolation detection and monitoring

artículo científico publicado en 2020

Properties of the Only Thorium Fullerene, Th@C84, Uncovered.

artículo científico publicado en 2017

RNA Packaging Motor: From Structure to Quantum Mechanical Modelling and Sequential-Stochastic Mechanism

Ratcheting rotation or speedy spinning: EPR and dynamics of Sc3C2@C80

scientific article published on 01 August 2017

Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table

artículo científico publicado en 2020

Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained.

artículo científico publicado en 2018

Spectroscopic and Computational Evidence of Intramolecular Au ⋅⋅⋅H -N Hydrogen Bonding

article

Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches.

artículo científico publicado en 2015

Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: chemical shifts and nuclear quadrupole couplings in HXeCCH.

artículo científico publicado en 2007

Toward Calculations of the129Xe Chemical Shift in Xe@C60at Experimental Conditions: Relativity, Correlation, and Dynamics

article

Understanding 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.

artículo científico publicado en 2005

Understanding the Electronic Factors Responsible for Ligand Spin–Orbit NMR Shielding in Transition-Metal Complexes

artículo científico publicado en 2015

Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects

artículo científico publicado en 2010

Unwilling U–U bonding in U2@C80: cage-driven metal–metal bonds in di-uranium fullerenes

artículo científico publicado en 2015

Xenon NMR of liquid crystals confined to cylindrical nanocavities: a simulation study

artículo científico publicado en 2015

Lista de obras de Michal Straka

129Xe NMR chemical shift in Xe@C60 calculated at experimental conditions: essential role of the relativity, dynamics, and explicit solvent.

A London-type formula for the dispersion interactions of endohedral A@B systems

Buckyball Difluoride F @C -A Single-Molecule Crystal

Can weakly coordinating anions stabilize mercury in its oxidation state +IV?

Characteristic spin-orbit induced 1H(CH2) chemical shifts upon deprotonation of group 9 polyamine aqua and alcohol complexes

Communication: fullerene resolution by the magnetic circular dichroism.

Correction to From π Bonds without σ Bonds to the Longest Metal-Metal Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes

Correlating the 31P NMR chemical shielding tensor and the 2J(P,C) spin-spin coupling constants with torsion angles ζ and α in the backbone of nucleic acids

Could uranium(XII)hexoxide, UO6 (Oh) exist?

Density Functional Calculations of3He Chemical Shift in Endohedral Helium Fullerenes: Neutral, Anionic, and Di-Helium Species

Dipolar molecules inside C70: an electric field-driven room-temperature single-molecule switch

Disulfide chromophore and its optical activity

Does resveratrol retain its antioxidative properties in wine? Redox behaviour of resveratrol in the presence of Cu(II) and tebuconazole

Dynamics and magnetic resonance properties of Sc3C2@C80 and its monoanion.

Experimental and Theoretical Evidence of Spin-Orbit Heavy Atom on the Light Atom 1 H NMR Chemical Shifts Induced through H⋅⋅⋅I- Hydrogen Bond

Exploring new 129Xe chemical shift ranges in HXeY compounds: hydrogen more relativistic than xenon

Formation and structure of the potassium complex of valinomycin in solution studied by Raman optical activity spectroscopy.

Formulations of the closed-shell interactions in endohedral systems

From π Bonds without σ Bonds to the Longest Metal-Metal Bond Ever: A Survey on Actinide-Actinide Bonding in Fullerenes

Fullerene C70 characterization by 13C NMR and the importance of the solvent and dynamics in spectral simulations.

H NMR is not a proof of hydrogen bonds in transition metal complexes

HgH4 and HgH6: further candidates for high-valent mercury compounds

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

High-Frequency 1H NMR Chemical Shifts of SnII and PbII Hydrides Induced by Relativistic Effects: Quest for PbII Hydrides.

How Does a Container Affect Acidity of its Content? Charge-Depletion Bonding Inside Fullerenes.

Interpretation of substituent effects on 13C and 15N NMR chemical shifts in 6-substituted purines

Linear HThThH: a candidate for a Th-Th triple bond

Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling.

Mechanism of Spin–Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPR

Nuclear magnetic resonance parameters of atomic xenon dissolved in Gay-Berne model liquid crystal

Nuclear spin circular dichroism in fullerenes: a computational study

On 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

One metal and forty nitrogens. Ab initio predictions for possible new high-energy pentazolides.

Origin of the conformational modulation of the 13C NMR chemical shift of methoxy groups in aromatic natural compounds.

Phosphate linkers with traceable cyclic intermediates for self-immolation detection and monitoring

Properties of the Only Thorium Fullerene, Th@C84, Uncovered.

RNA Packaging Motor: From Structure to Quantum Mechanical Modelling and Sequential-Stochastic Mechanism

Ratcheting rotation or speedy spinning: EPR and dynamics of Sc3C2@C80

Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table

Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained.

Spectroscopic and Computational Evidence of Intramolecular Au ⋅⋅⋅H -N Hydrogen Bonding

Structure, solvent, and relativistic effects on the NMR chemical shifts in square-planar transition-metal complexes: assessment of DFT approaches.

Theoretical predictions of nuclear magnetic resonance parameters in a novel organo-xenon species: chemical shifts and nuclear quadrupole couplings in HXeCCH.

Toward Calculations of the129Xe Chemical Shift in Xe@C60at Experimental Conditions: Relativity, Correlation, and Dynamics

Understanding 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.

Understanding the Electronic Factors Responsible for Ligand Spin–Orbit NMR Shielding in Transition-Metal Complexes

Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects

Unwilling U–U bonding in U2@C80: cage-driven metal–metal bonds in di-uranium fullerenes

Xenon NMR of liquid crystals confined to cylindrical nanocavities: a simulation study