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New PDF release: Calculation of NMR and EPR Parameters

By Kaupp M., Buhl M., Malkin V.G.

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Radium 1937, 8, 397–409. 67 H. F. Hameka, On the nuclear magnetic shielding in the hydrogen molecule, Mol. Phys. 1958, 1, 203–215. 68 D. Zeroka, H. F. Hameka, Calculation of magnetic shielding constants of diatomic molecules. I. General theory, J. Chem. Phys. 1966, 45, 300–311. 69 H. F. Hameka, Calculation of the magnetic susceptibility of methane, Physica 1959, 25, 626–630. 70 H. F. Hameka, Berechnung der magnetischen Eigenschaften des Wasserstoffmoleküls, Z. Naturforsch. A 1959, 14, 599–602.

1929, 34, 553. G. Breit, Phys. Rev. 1930, 36, 363. G. Breit, Phys. Rev. 1932, 39, 616. H. A. Bethe, E. E. Salpeter, Quantum Mechanics of One- and Two-Electron Atoms, Academic Press, New York 1957. E. Fermi, Z. Phys. 1930, 60, 320. N. F. Ramsey, Molecular Beams, Oxford University Press, Oxford 1956. W. Kutzelnigg, Theor. Chim. Acta 1988, 73, 173. A. Abragam, M. H. L. Pryce, Proc. R. Soc. A 1951, 205, 131. A. Abragam, M. H. L. Pryce, Proc. R. Soc. A 1951, 206, 173. E. Hückel, Z. Elektrochem. 1937, 43, 752.

Webb, On the relativistic molecular orbital theory of diamagnetism and NMR chemical shifts, J. Mol. Struct. (Theochem) 1983, 104, 439–444. N. F. Ramsey, Spin interactions of accelerated nuclei in molecules, Phys. Rev. 1953, 90, 232. W. H. Flygare, Magnetic interactions in molecules and an analysis of molecular electronic distribution from magnetic parameters, Chem. Rev. 1974, 74, 653–687. 63 A. D. Buckingham, S. M. Malm, Asymmetry in the nuclear magnetic shielding tensor, Mol. Phys. 1971, 22, 1127–1130.

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Calculation of NMR and EPR Parameters by Kaupp M., Buhl M., Malkin V.G.


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