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Rovibrational corrections to transition metal NMR shielding constants
Názov Rovibrational corrections to transition metal NMR shielding constants Autor Bühl Michael Spoluautori Imhof P. Repiský Michal SAVANOCH - Ústav anorganickej chémie SAV Zdroj.dok. ChemPhysChem. Vol. 5, no. 3 (2004), p. 410-414 Jazyk dok. eng - angličtina Druh dok. rozpis článkov z periodík (rbx) Ohlasy WRACKMEYER, B - TOK, OL - KORIDZE, AA. Indirect nuclear Fe-57-C-13 and Fe-57-H-1 spin-spin coupling in ferrocenes and cyclopentadienyliron complexes: measurements and DFT calculations. In MAGNETIC RESONANCE IN CHEMISTRY. ISSN 0749-1581, 2004, vol. 42, no. 9, pp. 750. MORT, BC - AUTSCHBACH, J. Magnitude of zero-point vibrational corrections to optical rotation in rigid organic molecules: A time-dependent density functional study. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, 2005, vol. 109, no. 38, pp. 8617. MORT, Brendan C. - AUTSCHBACH, Jochen. Vibrational corrections to magneto-optical rotation: A computational study. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, 2007, vol. 111, no. 25, pp. 5563. TRUFLANDIER, Lionel - PARIS, Michael - BOUCHER, Florent. Density functional theory investigation of 3d transition metal NMR shielding tensors in diamagnetic systems using the gauge-including projector augmented-wave method. In PHYSICAL REVIEW B. ISSN 1098-0121, 2007, vol. 76, no. 3, pp. MORT, Brendan C. - AUTSCHBACH, Jochen. A pragmatic recipe for the treatment of hindered rotations in the vibrational averaging of molecular properties. In CHEMPHYSCHEM. ISSN 1439-4235, 2008, vol. 9, no. 1, pp. 159. SYCHROVSKY, Vladimir - BENDA, Ladislav - PROKOP, Alexandr - BLECHTA, Vratislav - SCHRAML, Jan - SPIRKO, Vladimir. Probing the flexibility of internal rotation in silylated phenols with the NMR scalar spin-spin coupling constants. In JOURNAL OF PHYSICAL CHEMISTRY A. ISSN 1089-5639, 2008, vol. 112, no. 23, pp. 5167. LANTTO, Perttu - KANGASVIERI, Sanna - VAARA, Juha. Rovibrational effects on NMR shieldings in a heavy-element system: XeF2. In JOURNAL OF CHEMICAL PHYSICS. ISSN 0021-9606, 2012, vol. 137, no. 21, pp. LANTTO, Perttu - KANGASVIERI, Sanna - VAARA, Juha. Electron correlation and relativistic effects in the secondary NMR isotope shifts of CSe2. In PHYSICAL CHEMISTRY CHEMICAL PHYSICS. ISSN 1463-9076, 2013, vol. 15, no. 40, pp. 17468. Kategória ADCA - Vedecké práce v zahraničných karentovaných časopisoch impaktovaných Kategória (od 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Typ výstupu článok Rok vykazovania 2004 
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