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Comparison of NMR Shieldings Calculated from Hartree−Fock and Density Functional Wave Functions Using Gauge-Including Atomic Orbitals
Rauhut, Guntram, Puyear, Steve, Wolinski, Krzysztof, Pulay, PeterVolume:
100
Language:
english
Journal:
The Journal of Physical Chemistry
DOI:
10.1021/jp9529127
Date:
January, 1996
File:
PDF, 335 KB
english, 1996