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2008 | 2 |
2013 | 1 |
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Page 1
Thermal fluctuation and conformational effects on NMR parameters in β-O-4 lignin dimers from QM/MM and machine-learning approaches.
Phys Chem Chem Phys. 2022 Apr 13;24(15):8820-8831. doi: 10.1039/d2cp00361a.
Phys Chem Chem Phys. 2022.
PMID: 35352736
Weak Te,Te interactions through the looking glass of NMR spin-spin coupling.
Bühl M, Knight FR, Křístková A, Malkin Ondík I, Malkina OL, Randall RA, Slawin AM, Woollins JD.
Bühl M, et al. Among authors: malkin ondik i.
Angew Chem Int Ed Engl. 2013 Feb 25;52(9):2495-8. doi: 10.1002/anie.201205998. Epub 2013 Jan 23.
Angew Chem Int Ed Engl. 2013.
PMID: 23345140
Free PMC article.
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Density matrix renormalization group calculations on relative energies of transition metal complexes and clusters.
Marti KH, Ondík IM, Moritz G, Reiher M.
Marti KH, et al. Among authors: ondik im.
J Chem Phys. 2008 Jan 7;128(1):014104. doi: 10.1063/1.2805383.
J Chem Phys. 2008.
PMID: 18190182
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A fully relativistic method for calculation of nuclear magnetic shielding tensors with a restricted magnetically balanced basis in the framework of the matrix Dirac-Kohn-Sham equation.
Komorovský S, Repiský M, Malkina OL, Malkin VG, Malkin Ondík I, Kaupp M.
Komorovský S, et al. Among authors: malkin ondik i.
J Chem Phys. 2008 Mar 14;128(10):104101. doi: 10.1063/1.2837472.
J Chem Phys. 2008.
PMID: 18345871
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