| Year |
Citation |
Score |
| 2020 |
Repisky M, Komorovsky S, Kadek M, Konecny L, Ekström U, Malkin E, Kaupp M, Ruud K, Malkina OL, Malkin VG. ReSpect: Relativistic spectroscopy DFT program package. The Journal of Chemical Physics. 152: 184101. PMID 32414255 DOI: 10.1063/5.0005094 |
0.785 |
|
| 2016 |
Charron G, Malkin E, Rogez G, Batchelor LJ, Mazerat S, Guillot R, Guihéry N, Barra AL, Mallah T, Bolvin H. Unraveling σ and π Effects on Magnetic Anisotropy in cis-NiA4 B2 Complexes: Magnetization, HF-HFEPR Studies, First-Principles Calculations, and Orbital Modeling. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 27723126 DOI: 10.1002/Chem.201602837 |
0.54 |
|
| 2015 |
Komorovsky S, Repisky M, Malkin E, Demissie TB, Ruud K. Four-Component Relativistic Density-Functional Theory Calculations of Nuclear Spin-Rotation Constants: Relativistic Effects in p-Block Hydrides. Journal of Chemical Theory and Computation. 11: 3729-39. PMID 26574455 DOI: 10.1021/Acs.Jctc.5B00276 |
0.767 |
|
| 2015 |
Komorovsky S, Repisky M, Malkin E, Ruud K, Gauss J. Communication: The absolute shielding scales of oxygen and sulfur revisited. The Journal of Chemical Physics. 142: 091102. PMID 25747051 DOI: 10.1063/1.4913634 |
0.742 |
|
| 2015 |
Demissie TB, Jaszuński M, Malkin E, Komorovský S, Ruud K. NMR shielding and spin–rotation constants in XCO (X = Ni, Pd, Pt) molecules Molecular Physics. 113: 1576-1584. DOI: 10.1080/00268976.2014.993343 |
0.771 |
|
| 2013 |
Malkin E, Komorovsky S, Repisky M, Demissie TB, Ruud K. The Absolute Shielding Constants of Heavy Nuclei: Resolving the Enigma of the (119)Sn Absolute Shielding. The Journal of Physical Chemistry Letters. 4: 459-63. PMID 26281741 DOI: 10.1021/Jz302146M |
0.754 |
|
| 2013 |
Jaszuński M, Repisky M, Demissie TB, Komorovsky S, Malkin E, Ruud K, Garbacz P, Jackowski K, Makulski W. Spin-rotation and NMR shielding constants in HCl. The Journal of Chemical Physics. 139: 234302. PMID 24359362 DOI: 10.1063/1.4840295 |
0.76 |
|
| 2011 |
Malkina OL, Křístková A, Malkin E, Komorovský S, Malkin VG. Illumination of the effect of the overlap of lone-pairs on indirect nuclear spin-spin coupling constants. Physical Chemistry Chemical Physics : Pccp. 13: 16015-21. PMID 21826305 DOI: 10.1039/c1cp21422e |
0.749 |
|
| 2011 |
Malkin E, Repiský M, Komorovský S, Mach P, Malkina OL, Malkin VG. Effects of finite size nuclei in relativistic four-component calculations of hyperfine structure. The Journal of Chemical Physics. 134: 044111. PMID 21280691 DOI: 10.1063/1.3526263 |
0.81 |
|
| 2010 |
Repiský M, Komorovský S, Malkin E, Malkina OL, Malkin VG. Relativistic four-component calculations of electronic g-tensors in the matrix Dirac–Kohn–Sham framework Chemical Physics Letters. 488: 94-97. DOI: 10.1016/J.Cplett.2010.01.077 |
0.792 |
|
| 2006 |
Malkin E, Malkin I, Malkina OL, Malkin VG, Kaupp M. Scalar relativistic calculations of hyperfine coupling tensors using the Douglas-Kroll-Hess method with a finite-size nucleus model. Physical Chemistry Chemical Physics : Pccp. 8: 4079-85. PMID 17028696 DOI: 10.1039/B607044B |
0.516 |
|
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