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Autor:
Dimitri N. Shchepkin, Ilja G. Shenderovich, Peter M. Tolstoy, Gleb S. Denisov, Sona M. Melikova, N. S. Golubev
Publikováno v:
Zeitschrift für Physikalische Chemie. 217:1549-1564
Using ab initio calculations of 1H, 19F magnetic shielding tensors of hydrogen difluoride ion as the functions of three coordinates of symmetry, an attempt is made to estimate the contributions of different vibrational isotope effects to H/D NMR isot