Michal Straka

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Radek MarekProfessor of Chemistry, Masaryk University, CEITECVerifisert e-postadresse på chemi.muni.cz
Jan VíchaVerifisert e-postadresse på utb.cz
Pekka PyykkoProfessor of Chemistry, University of HelsinkiVerifisert e-postadresse på helsinki.fi
Cina Foroutan-NejadInstitute of Organic Chemistry, Polish Academy of SciencesVerifisert e-postadresse på icho.edu.pl
Stanislav KomorovskyResearcher, Institute of inorganic chemistry, Slovak academy of sciencesVerifisert e-postadresse på savba.sk
Prof. Dr. Sebastian RiedelFreie Universität BerlinVerifisert e-postadresse på fu-berlin.de
Perttu LanttoUniversity Researcher (Associate Professor), NMR Research Unit, University of OuluVerifisert e-postadresse på oulu.fi
Adam JarošIOCB AS CRVerifisert e-postadresse på uochb.cas.cz
Michal RepiskyHylleraas Centre for Quantum Molecular Sciences, University of Tromsø, NorwayVerifisert e-postadresse på uit.no
Dage SundholmProfessor in theoretical and computational chemistryVerifisert e-postadresse på helsinki.fi
Lubomir RulisekInstitute of Organic Chemistry and Biochemistry, Czech Academy of SciencesVerifisert e-postadresse på uochb.cas.cz
Ladislav BendaPostdoctoral researcher, ENS LyonVerifisert e-postadresse på ens-lyon.fr
Jana RoithovaRadboud University NijmegenVerifisert e-postadresse på science.ru.nl
Yoshiyuki TanakaFaculty of Pharmaceutical Sciences, Tokushima Bunri UniversityVerifisert e-postadresse på ph.bunri-u.ac.jp
Kenneth RuudHylleraas Centre for Quantum Molecular Sciences, University of Tromsø-The Arctic University ofVerifisert e-postadresse på uit.no
Michal HocekInstitute of Organic Chemistry and Biochemistry ASCRVerifisert e-postadresse på natur.cuni.cz
Valery AndrushchenkoInstitute of Organic Chemistry and Biochemistry Academy of Sciences of the Czech RepublicVerifisert e-postadresse på uochb.cas.cz
Jakub KaminskyInstitute of Organic Chemistry and BiochemistryVerifisert e-postadresse på uochb.cas.cz
Zahra BadriCEITEC-Central European Institute of Technology, Masaryk University, Brno, Czech RepublicVerifisert e-postadresse på mail.muni.cz
HegetschweilerSaarland UniversityVerifisert e-postadresse på mx.uni-saarland.de

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Michal Straka

Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences

Verifisert e-postadresse på uochb.cas.cz

endohedral fullerenes relativistic effects in NMR actinide compounds molecular properties


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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	197	2000
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	136	2020
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	127	2001
Ab initio study of bonding trends for f0 actinide oxyfluoride species M Straka, KG Dyall, P Pyykkö Theoretical Chemistry Accounts 106, 393-403, 2001	103	2001
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	93	2015
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	83	2003
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	82	2008
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	77	2014
Fullerene-based switching molecular diodes controlled by oriented external electric fields A Jaros, EF Bonab, M Straka, C Foroutan-Nejad Journal of the American Chemical Society 141 (50), 19644-19654, 2019	69	2019
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	68	2017
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	67	2004
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	66	2015
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	65	2010
Relativistic spin–orbit heavy atom on the light atom nmr chemical shifts: general trends across the periodic table explained J Vícha, S Komorovsky, M Repisky, R Marek, M Straka Journal of Chemical Theory and Computation 14 (6), 3025-3039, 2018	64	2018
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	58	2005
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	55	2010
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	55	2007
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	55	2005
Unwilling U–U bonding in U 2@ C 80: cage-driven metal–metal bonds in di-uranium fullerenes C Foroutan-Nejad, J Vícha, R Marek, M Patzschke, M Straka Physical Chemistry Chemical Physics 17 (37), 24182-24192, 2015	54	2015
Dipolar molecules inside C 70: an electric field-driven room-temperature single-molecule switch C Foroutan-Nejad, V Andrushchenko, M Straka Physical Chemistry Chemical Physics 18 (48), 32673-32677, 2016	53	2016

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