Your search returned 38 results.

Results
	1.	NMR absolute shielding scales and nuclear magnetic dipole moments of transition metal nuclei. [electronic resource] by Antušek, Andrej Repisky, Michal Publication details: Physical chemistry chemical physics : PCCP Apr 2020 In: Physical chemistry chemical physics : PCCP vol. 22 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Rovibrational corrections to transition metal NMR shielding constants. [electronic resource] by Bühl, Michael Imhof, Petra Repisky, Michal Producer: 20041230 In: Chemphyschem : a European journal of chemical physics and physical chemistry vol. 5 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	A comparison of two-component and four-component approaches for calculations of spin-spin coupling constants and NMR shielding constants of transition metal cyanides. [electronic resource] by Wodyński, Artur Repiský, Michal Pecul, Magdalena Producer: 20121113 In: The Journal of chemical physics vol. 137 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Four-component relativistic time-dependent density-functional theory using a stable noncollinear DFT ansatz applicable to both closed- and open-shell systems. [electronic resource] by Komorovsky, Stanislav Cherry, Peter J Repisky, Michal Producer: 20191119 In: The Journal of chemical physics vol. 151 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians. [electronic resource] by Helmich-Paris, Benjamin Repisky, Michal Visscher, Lucas Producer: 20170125 In: The Journal of chemical physics vol. 145 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Relativistic four-component linear damped response TDDFT for electronic absorption and circular dichroism calculations. [electronic resource] by Konecny, Lukas Repisky, Michal Ruud, Kenneth Komorovsky, Stanislav Producer: 20191125 In: The Journal of chemical physics vol. 151 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained. [electronic resource] by Vícha, Jan Komorovsky, Stanislav Repisky, Michal Marek, Radek Straka, Michal Producer: 20180612 In: Journal of chemical theory and computation vol. 14 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	X-ray absorption resonances near L2,3-edges from real-time propagation of the Dirac-Kohn-Sham density matrix. [electronic resource] by Kadek, Marius Konecny, Lukas Gao, Bin Repisky, Michal Ruud, Kenneth Producer: 20151103 In: Physical chemistry chemical physics : PCCP vol. 17 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Fully relativistic calculations of NMR shielding tensors using restricted magnetically balanced basis and gauge including atomic orbitals. [electronic resource] by Komorovský, Stanislav Repiský, Michal Malkina, Olga L Malkin, Vladimir G Producer: 20100707 In: The Journal of chemical physics vol. 132 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	Four-Component Relativistic DFT Calculations of (13)C Chemical Shifts of Halogenated Natural Substances. [electronic resource] by Casella, Girolamo Bagno, Alessandro Komorovsky, Stanislav Repisky, Michal Saielli, Giacomo Producer: 20160509 In: Chemistry (Weinheim an der Bergstrasse, Germany) vol. 21 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Communication: The absolute shielding scales of oxygen and sulfur revisited. [electronic resource] by Komorovsky, Stanislav Repisky, Michal Malkin, Elena Ruud, Kenneth Gauss, Jürgen Producer: 20150511 In: The Journal of chemical physics vol. 142 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Resolution-of-identity accelerated relativistic two- and four-component electron dynamics approach to chiroptical spectroscopies. [electronic resource] by Konecny, Lukas Kadek, Marius Komorovsky, Stanislav Ruud, Kenneth Repisky, Michal Producer: 20181217 In: The Journal of chemical physics vol. 149 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Interplay of Through-Bond Hyperfine and Substituent Effects on the NMR Chemical Shifts in Ru(III) Complexes. [electronic resource] by Jeremias, Lukáš Novotný, Jan Repisky, Michal Komorovsky, Stanislav Marek, Radek Producer: 20180806 In: Inorganic chemistry vol. 57 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides. [electronic resource] by Komorovsky, Stanislav Repisky, Michal Malkin, Elena Demissie, Taye B Ruud, Kenneth Producer: 20160314 In: Journal of chemical theory and computation vol. 11 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the (119)Sn Absolute Shielding. [electronic resource] by Malkin, Elena Komorovsky, Stanislav Repisky, Michal Demissie, Taye B Ruud, Kenneth Producer: 20150819 In: The journal of physical chemistry letters vol. 4 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	Absolute NMR shielding scales and nuclear spin-rotation constants in (175)LuX and (197)AuX (X = (19)F, (35)Cl, (79)Br and (127)I). [electronic resource] by Demissie, Taye B Jaszuński, Michał Komorovsky, Stanislav Repisky, Michal Ruud, Kenneth Producer: 20160401 In: The Journal of chemical physics vol. 143 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Relativistic four-component DFT calculations of 1H NMR chemical shifts in transition-metal hydride complexes: unusual high-field shifts beyond the Buckingham-Stephens model. [electronic resource] by Hrobárik, Peter Hrobáriková, Veronika Meier, Florian Repiský, Michal Komorovský, Stanislav Kaupp, Martin Producer: 20110930 In: The journal of physical chemistry. A vol. 115 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Four-component relativistic density functional theory calculations of NMR shielding tensors for paramagnetic systems. [electronic resource] by Komorovsky, Stanislav Repisky, Michal Ruud, Kenneth Malkina, Olga L Malkin, Vladimir G Producer: 20140808 In: The journal of physical chemistry. A vol. 117 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Four-Component Relativistic Density Functional Theory Calculations of EPR g- and Hyperfine-Coupling Tensors Using Hybrid Functionals: Validation on Transition-Metal Complexes with Large Tensor Anisotropies and Higher-Order Spin-Orbit Effects. [electronic resource] by Gohr, Sebastian Hrobárik, Peter Repiský, Michal Komorovský, Stanislav Ruud, Kenneth Kaupp, Martin Producer: 20160414 In: The journal of physical chemistry. A vol. 119 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Relativistic four-component calculations of indirect nuclear spin-spin couplings with efficient evaluation of the exchange-correlation response kernel. [electronic resource] by Křístková, Anežka Komorovsky, Stanislav Repisky, Michal Malkin, Vladimir G Malkina, Olga L Producer: 20150514 In: The Journal of chemical physics vol. 142 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

Refine your search

Availability

Authors

Topics

Languages

Your search returned 38 results.