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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
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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