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Alexander A. Auer, Van Anh Tran, Bikramjit Sharma, Georgi L. Stoychev, Dominik Marx & Frank Neese. (2020) A case study of density functional theory and domain-based local pair natural orbital coupled cluster for vibrational effects on EPR hyperfine coupling constants: vibrational perturbation theory versus ab initio molecular dynamics. Molecular Physics 118:19-20.
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Andrej Antu[sbreve]ek & Michał Jaszuński. (2006) Coupled cluster study of NMR shielding constants and spin-rotation constants in SiH4, PH3 and H2S molecules. Molecular Physics 104:9, pages 1463-1474.
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Articles from other publishers (43)
Włodzimierz Makulski, Mateusz A. Słowiński & Piotr Garbacz. (2023) Nuclear Dipole Moments and Shielding Constants of Light Nuclei Measured in Magnetic Fields. Magnetochemistry 9:6, pages 148.
Crossref
Crossref
Irina L. Rusakova. (2022) Quantum Chemical Approaches to the Calculation of NMR Parameters: From Fundamentals to Recent Advances. Magnetochemistry 8:5, pages 50.
Crossref
Crossref
Hubert Jóźwiak, Hubert Cybulski, Antoni Grabowski & Piotr Wcisło. (2021)
Hyperfine structure of the
state in
. Physical Review A 104:1.
Crossref
Crossref
Teresita Santa Cruz & Gustavo A. Aucar. (2020) On the invariance of polarization propagators at SOPPA level of approach under unitary transformations of MOs. Chemical Physics Letters 761, pages 138027.
Crossref
Crossref
Włodzimierz Makulski & Piotr Garbacz. (2020)
Gas-phase
21
Ne NMR studies and the nuclear magnetic dipole moment of neon-21
. Magnetic Resonance in Chemistry 58:7, pages 648-652.
Crossref
Crossref
Jürgen Gräfenstein. (2019) Efficient calculation of NMR isotopic shifts: Difference-dedicated vibrational perturbation theory. The Journal of Chemical Physics 151:24.
Crossref
Crossref
Piotr Garbacz & Karol Jackowski. (2019) Referencing of 1H and 13C NMR shielding measurements. Chemical Physics Letters 728, pages 148-152.
Crossref
Crossref
Piotr Garbacz & Grzegorz Łach. (2018) Isotope Effects on Nuclear Magnetic Shielding in Molecular Hydrogen. The Journal of Physical Chemistry A 122:2, pages 590-593.
Crossref
Crossref
Tsutomu Kawatsu & Masanori Tachikawa. (2018) Quantum fluctuations of a fullerene cage modulate its internal magnetic environment. Physical Chemistry Chemical Physics 20:3, pages 1673-1684.
Crossref
Crossref
Michał Jaszuński, Antonio Rizzo & Kenneth Ruud. 2017. Handbook of Computational Chemistry. Handbook of Computational Chemistry
497
592
.
Rasmus Faber, Jakub Kaminsky & Stephan P. A. Sauer. 2016. Gas Phase NMR. Gas Phase NMR
218
266
.
Andrej Antušek & MichaŁ Jaszuński. 2016. Gas Phase NMR. Gas Phase NMR
186
217
.
Karol Jackowski & Piotr Garbacz. 2016. Gas Phase NMR. Gas Phase NMR
95
125
.
Cynthia J. Jameson. 2016. Gas Phase NMR. Gas Phase NMR
1
51
.
Marzena Jankowska, Teobald Kupka & Leszek Stobiński. (2015) On novel magnetic probe for fullerene characterization: Theoretical studies on NMR parameters of free and confined in fullerenes HD and H 2 molecules. Journal of Molecular Graphics and Modelling 62, pages 26-37.
Crossref
Crossref
Michał Jaszuński, Antonio Rizzo & Kenneth Ruud. 2016. Handbook of Computational Chemistry. Handbook of Computational Chemistry
1
97
.
Nikolai S. Golubev & Dmitry N. Shchepkin. (2014) An estimation of the contribution of Π electronic states to magnetic shielding asymmetry in HD. Chemical Physics Letters 591, pages 292-295.
Crossref
Crossref
Michał Jaszuński, Michal Repisky, Taye B. Demissie, Stanislav Komorovsky, Elena Malkin, Kenneth Ruud, Piotr Garbacz, Karol Jackowski & Włodzimierz Makulski. (2013) Spin-rotation and NMR shielding constants in HCl. The Journal of Chemical Physics 139:23.
Crossref
Crossref
Piotr Garbacz, Karol Jackowski, Włodzimierz Makulski & Roderick E. Wasylishen. (2012) Nuclear Magnetic Shielding for Hydrogen in Selected Isolated Molecules. The Journal of Physical Chemistry A 116:48, pages 11896-11904.
Crossref
Crossref
Michał Jaszuński, Andrej Antušek, Piotr Garbacz, Karol Jackowski, Włodzimierz Makulski & Marcin Wilczek. (2012) The determination of accurate nuclear magnetic dipole moments and direct measurement of NMR shielding constants. Progress in Nuclear Magnetic Resonance Spectroscopy 67, pages 49-63.
Crossref
Crossref
Michał Jaszuński, Antonio Rizzo & Kenneth Ruud. 2012. Handbook of Computational Chemistry. Handbook of Computational Chemistry
361
441
.
Michał Jaszuński, Grzegorz Łach & Krzysztof Strasburger. (2010) NMR shielding constants in hydrogen molecule isotopomers. Theoretical Chemistry Accounts 129:3-5, pages 325-330.
Crossref
Crossref
Karol Jackowski, Michał Jaszuński & Marcin Wilczek. (2010) Alternative Approach to the Standardization of NMR Spectra. Direct Measurement of Nuclear Magnetic Shielding in Molecules. The Journal of Physical Chemistry A 114:7, pages 2471-2475.
Crossref
Crossref
Teobald Kupka. (2009)
H
2
O, H
2
, HF, F
2
and F
2
O nuclear magnetic shielding constants and indirect nuclear spin-spin coupling constants (SSCCs) in the BHandH/pcJ-
n
and BHandH/XZP Kohn-Sham limits
. Magnetic Resonance in Chemistry 47:11, pages 959-970.
Crossref
Crossref
Alexander A. Auer. (2009) Quantitative prediction of gas-phase O17 nuclear magnetic shielding constants. The Journal of Chemical Physics 131:2.
Crossref
Crossref
Michael E. Harding, Michael Lenhart, Alexander A. Auer & Jürgen Gauss. (2008) Quantitative prediction of gas-phase F19 nuclear magnetic shielding constants. The Journal of Chemical Physics 128:24.
Crossref
Crossref
M. Jaszuński & K. Jackowski. 2008. Precision Physics of Simple Atoms and Molecules. Precision Physics of Simple Atoms and Molecules
233
260
.
Teobald Kupka & Carmay Lim. (2007) Polarization-Consistent versus Correlation-Consistent Basis Sets in Predicting Molecular and Spectroscopic Properties. The Journal of Physical Chemistry A 111:10, pages 1927-1932.
Crossref
Crossref
S. A. Alexander & R. L. Coldwell. (2007) Rovibrationally averaged properties of H2 using Monte Carlo methods. International Journal of Quantum Chemistry 107:2, pages 345-352.
Crossref
Crossref
Antonio Rizzo, Cristina Puzzarini, Sonia Coriani & Jürgen Gauss. (2006)
The nuclear-spin-rotation constants of HCY, HSiY, and SiY2 (Y=F, Cl): An
ab initio
study
. The Journal of Chemical Physics 124:6.
Crossref
Crossref
Ulrich Sternberg, Raiker Witter & Anne S. Ulrich. 2004.
53
104
.
Per-Olof Åstrand & Kenneth Ruud. (2003) Zero-point vibrational contributions to fluorine shieldings in organic molecules. Phys. Chem. Chem. Phys. 5:22, pages 5015-5020.
Crossref
Crossref
PHILIP J WILSON. 2003.
117
168
.
Teobald Kupka, Branko Ruscic & Robert E. Botto. (2002) Toward Hartree−Fock- and Density Functional Complete Basis-Set-Predicted NMR Parameters. The Journal of Physical Chemistry A 106:43, pages 10396-10407.
Crossref
Crossref
Michael C. Böhm, Joachim Schulte & Rafael Ramírez. (2001) On the influence of nuclear fluctuations on calculated NMR shieldings of benzene and ethylene: a Feynman path integral–ab initio investigation*. International Journal of Quantum Chemistry 86:3, pages 280-296.
Crossref
Crossref
Kenneth Ruud, Per-Olof Åstrand & Peter R. Taylor. (2001) Zero-Point Vibrational Effects on Proton Shieldings: Functional-Group Contributions from ab Initio Calculations. Journal of the American Chemical Society 123:20, pages 4826-4833.
Crossref
Crossref
Michael C Böhm, Joachim Schulte & Rafael Ramı́rez. (2000) Nuclear quantum effects in calculated NMR shieldings of ethylene; a Feynman path integral – ab initio study. Chemical Physics Letters 332:1-2, pages 117-124.
Crossref
Crossref
Per-Olof Åstrand, Kenneth Ruud & Peter R. Taylor. (2000) Calculation of the vibrational wave function of polyatomic molecules. The Journal of Chemical Physics 112:6, pages 2655-2667.
Crossref
Crossref
P. Lazzeretti. (2000) Ring currents. Progress in Nuclear Magnetic Resonance Spectroscopy 36:1, pages 1-88.
Crossref
Crossref
Benoit Cromp, Tucker CarringtonJr.Jr., Dennis R. Salahub, Olga L. Malkina & Vladimir G. Malkin. (1999) Effect of rotation and vibration on nuclear magnetic resonance chemical shifts: Density functional theory calculations. The Journal of Chemical Physics 110:15, pages 7153-7159.
Crossref
Crossref
Trygve Helgaker, Michał Jaszuński & Kenneth Ruud. (1998) Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants. Chemical Reviews 99:1, pages 293-352.
Crossref
Crossref
Karol Jackowski, Michał Jaszuński, Włodzimierz Makulski & Juha Vaara. (1998) Rovibrationally Averaged Nuclear Shielding Constants in OCS. Journal of Magnetic Resonance 135:2, pages 444-453.
Crossref
Crossref
Sonia Coriani, Michal Jaszunski, Antonio Rizzo & Kenneth Ruud. (1998) MCSCF nuclear magnetic shieldings and spin-rotation constants of 17O in 16O17O16O and 17O16O16O. Chemical Physics Letters 287:5-6, pages 677-681.
Crossref
Crossref